SCHEMBL968063

SCHEMBL968063

c1cc2c(nn1)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ADRA2A P08913 3/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
GAA P10253 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5021299 0.98 SIGMAR1 (0.41) SIGMAR1NOS3NOS1NOS2ADRA2A
SCHEMBL31126014 0.95
SCHEMBL19059297 0.82 SIGMAR1 (0.31) SIGMAR1
SCHEMBL19059005 0.77
SCHEMBL13262088 0.74 CYP11B2 (0.45) NOS3TSHR
SCHEMBL29043805 0.72
SCHEMBL2562162 0.71 PNMT (0.43) ADRA2AADRA2BADRA2CHTR2CCHRNB2
SCHEMBL2560588 0.71 CHRNB2 (0.44) ADRA2AADRA2BADRA2CHTR2CCHRNB2
SCHEMBL14844823 0.70 FKBP5 (0.32)
SCHEMBL13028729 0.70

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 256 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11641773-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-05-02 US claimed
US-11539007-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-12-27 US claimed
EP-2298301-B2 MEDICAMENTS FOR TREATING ANEMIA ASSOCIATED WITH KIDNEY DISEASE FIBROGEN INC (US) 2022-11-16 EP claimed
US-20210159431-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2021-05-27 US claimed
US-20210119153-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2021-04-22 US claimed
US-10937973-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-03-02 US claimed
US-10894774-B2 Enhanced erythropoiesis and iron metabolism FIBROGEN, INC. (US) 2021-01-19 US claimed
US-10626090-B2 Enhanced erythropoiesis and iron metabolism FIBROGEN INC. (US) 2020-04-21 US claimed
EP-1487472-B1 Treatment of ischemic or hypoxic conditions using heterocyclic carboxamides FIBROGEN INC (US) 2019-06-26 EP claimed
EP-2324834-B1 Methods of Increasing Endogenous Erythropoietin (EPO) FIBROGEN INC (US) 2019-05-08 EP claimed
EP-1991544-A2 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS PTPASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-19 EP claimed
EP-1893186-A2 IMPROVED TREATMENT FOR ANEMIA USING A HIF-ALPHA STABILISING AGENT FIBROGEN, INC. (US) 2008-03-05 EP claimed
US-20070191385-A1 Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors VTV THERAPEUTICS LLC 2007-08-16 US claimed
WO-2007089857-A2 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS PTPASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-09 WO claimed
WO-2006133391-A2 IMPROVED TREATMENT FOR ANEMIA USING A HIF-ALPHA STABILISING AGENT FIBROGEN, INC. (US) 2006-12-14 WO claimed
US-20060276477-A1 Treatment method for anemia FIBROGEN, INC. (US) 2006-12-07 US claimed
US-20060216295-A1 Methods of identifying therapeutic targets for the treatment of vulvovaginal atrophy WYETH (US) 2006-09-28 US claimed
WO-2006099610-A2 METHODS OF IDENTIFYING THERAPEUTIC TARGETS FOR THE TREATMENT OF VULVOVAGINAL ATROPHY WYETH (US) 2006-09-21 WO claimed
EP-0650961-B1 Substituted heterocyclic carboxylic acid amides, their preparation, and their use as medicaments HOECHST AG (DE) 1997-03-05 EP claimed
EP-0650960-B1 Substituted heterocyclic carboxylic acid amide esters, their preparation and their us as medicaments HOECHST AG (DE) 1997-03-05 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210159431-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND ORC3, LEF1, OCIAD1 SIGMAR1 3149/4885NOS3 2270/4885NOS1 862/4885
US-20060216295-A1 Methods of identifying therapeutic targets for the treatment of vulvovaginal atrophy DNASE1L3, ANXA4, SERPINA6 SIGMAR1 4108/4885NOS3 2811/4885NOS1 3541/4885
US-11539007-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 SIGMAR1 3149/4885NOS3 2270/4885NOS1 862/4885
US-20060276477-A1 Treatment method for anemia THPO, EPOR, MPL SIGMAR1 4724/4885NOS3 424/4885NOS1 904/4885
US-20070191385-A1 Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors PTP4A1, PTPRJ, PTP4A2 SIGMAR1 4460/4885NOS3 1241/4885NOS1 972/4885
US-11641773-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 SIGMAR1 3149/4885NOS3 2270/4885NOS1 862/4885
US-10626090-B2 Enhanced erythropoiesis and iron metabolism EPOR, HAMP, TFRC SIGMAR1 3564/4885NOS3 283/4885NOS1 395/4885
US-10894774-B2 Enhanced erythropoiesis and iron metabolism EPOR, HAMP, TFRC SIGMAR1 4088/4885NOS3 460/4885NOS1 637/4885
US-20210119153-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND ORC3, LEF1, OCIAD1 SIGMAR1 3149/4885NOS3 2270/4885NOS1 862/4885
US-10937973-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 SIGMAR1 3149/4885NOS3 2270/4885NOS1 862/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.