SCHEMBL255309

SCHEMBL255309

CC(C)NCCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.70
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL12312527 0.94 SIGMAR1 (0.71) SIGMAR1KMT2A
SCHEMBL9350701 0.92 SIGMAR1 (0.72) SIGMAR1KMT2A
SCHEMBL1148376 0.87 SIGMAR1 (0.68) SIGMAR1KMT2AMEN1CYP2D6CYP2C9
SCHEMBL28429716 0.84 SIGMAR1 (0.66) SIGMAR1KMT2AMEN1CYP2D6CYP2C9
SCHEMBL18645287 0.82 SIGMAR1 (1.00) SIGMAR1
SCHEMBL22043230 0.82 SIGMAR1 (1.00) SIGMAR1
SCHEMBL19498805 0.82 SIGMAR1 (0.74) SIGMAR1
Bromide SCHEMBL6674517 0.82 SIGMAR1 (0.64) SIGMAR1KMT2AMEN1CYP2D6CYP2C9
SCHEMBL7022052 0.82 SIGMAR1 (0.64) SIGMAR1KMT2AMEN1CYP2D6CYP2C19
SCHEMBL13589884 0.82 SIGMAR1 (1.00) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110452774-A A kind of quick-fried pearl dried orange peel essence and preparation method thereof, quick-fried pearl and cigarette CHINA TOBACCO HENAN IND CO LTD 2019-11-15 CN claimed
US-5504253-A Amine preparation NPS PHARMACEUTICALS, INC. (US) 1996-04-02 US claimed
WO-1996002492-A1 METHOD OF MAKING A BENZYLPROPANAMINE NSP PHARMACEUTICALS, INC. (US) 1996-02-01 WO claimed
US-11826350-B2 Proline-based neuropeptide FF receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2023-11-28 US disclosed
US-11826350-B2 Proline-based neuropeptide FF receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2023-11-28 US disclosed
US-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 US disclosed
US-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-25 US disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 US disclosed
US-11224224-B2 Thiobenzoimidazole as fungicides REDAG CROP PROTECTION LTD. (GB) 2022-01-18 US disclosed
US-20210130473-A1 TGFßR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2021-05-06 US disclosed
CN-1041091-C Trisubstituted pyrimido [5,4-d] pyrimidines for modulating THOMAE GMBH DR K (DE) 1998-12-09 CN disclosed
US-5648540-A Amine preparation NPS PHARMACEUTICALS, INC. (US) 1997-07-15 US disclosed
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 US disclosed
US-5504253-A Amine preparation NPS PHARMACEUTICALS, INC. (US) 1996-04-02 US disclosed
WO-1996002492-A1 METHOD OF MAKING A BENZYLPROPANAMINE NSP PHARMACEUTICALS, INC. (US) 1996-02-01 WO disclosed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP disclosed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO disclosed
US-4958029-A Process for the production of isoindoline derivatives, novel intermediates and process for their production BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
EP-0275064-A2 Process for the production of isoindoline derivatives, novel intermediates and process for their production Banyu Pharmaceutical Co., Ltd. (JP) 1988-07-20 EP disclosed

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

For each of this compound's patents that has machine-readable text (7 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E SIGMAR1 3967/4885KMT2A 2253/4885MEN1 3132/4885
US-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF PTH1R, CALCR, VDR SIGMAR1 4258/4885KMT2A 4405/4885MEN1 90/4885
US-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE PACSIN2, MAP3K20, PHKG1 SIGMAR1 1640/4885KMT2A 1641/4885MEN1 1528/4885
US-11224224-B2 Thiobenzoimidazole as fungicides CYP1B1, CYP51A1, CYP1A2 SIGMAR1 1784/4885KMT2A 2065/4885MEN1 2482/4885
US-11826350-B2 Proline-based neuropeptide FF receptor modulators NPFFR1, NPFFR2, NPBWR1 SIGMAR1 183/4885KMT2A 4361/4885MEN1 3750/4885
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 SIGMAR1 4507/4885KMT2A 1721/4885MEN1 479/4885
US-20210130473-A1 TGFßR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF TGFBR2, ASGR1, TGFBR1 SIGMAR1 2970/4885KMT2A 2093/4885MEN1 2700/4885

“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.