SCHEMBL54932

SCHEMBL54932

CN1CCC(c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.63
SLC18A3 Q16572 4/20 0.58
GRIN2B Q13224 3/20 0.58
CARM1 Q86X55 1/20 0.58
PRMT6 Q96LA8 1/20 0.58
QDPR P09417 1/20 0.53
SIGMAR1 Q99720 2/20 0.53
KDM1A O60341 1/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51

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
Hydrochloric Acid SCHEMBL1481475 0.98 DRD2 (0.61) DRD2SLC18A3GRIN2BCARM1PRMT6
SCHEMBL9910976 0.92 DRD2 (0.56) DRD2SLC18A3GRIN2BCARM1PRMT6
SCHEMBL27618609 0.90 SLC18A3 (0.54) DRD2SLC18A3GRIN2BCARM1PRMT6
SCHEMBL12902348 0.88 DRD2 (0.51) DRD2SLC18A3GRIN2BCARM1PRMT6
SCHEMBL826215 0.87 DRD2 (0.55) DRD2SLC18A3CARM1PRMT6
SCHEMBL6198518 0.87 DRD2 (0.55) DRD2SLC18A3CARM1PRMT6
SCHEMBL6200948 0.87 DRD2 (0.55) DRD2SLC18A3CARM1PRMT6
Propionic Acid SCHEMBL28360560 0.86 DRD2 (0.58) DRD2SLC18A3CARM1PRMT6SIGMAR1
SCHEMBL2280294 0.83 QDPR (0.51) DRD2GRIN2BCARM1PRMT6QDPR
SCHEMBL12902345 0.83 LSS (0.55) DRD2SLC18A3CARM1PRMT6SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200128801-A1 INFORMATION PROVIDING METHOD FOR DIAGNOSING PARKINSONS DISEASE UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2020-04-30 US claimed
CN-105349593-B A kind of preparation method of pethidine hydrochloride 浙江汇能生物股份有限公司 2019-01-25 CN claimed
CN-104428288-A Gpr17 receptor modulators. UNIV DEGLI STUDI MILANO 2015-03-18 CN claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
CN-103007299-A Parkinson's disease animal model platform and application of platform in medicine screening HU XIANG 2013-04-03 CN claimed
US-7897778-B2 Benzamide compounds ASTRAZENECA (SE) 2011-03-01 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 US claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
US-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives VIDAL JUAN BERNAT (ES) 2004-01-29 US claimed
EP-1198464-B1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2003-10-08 EP claimed
EP-1307458-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2003-05-07 EP claimed
US-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2003-03-27 US claimed
EP-1198464-A1 8-PHENYL-6,9-DIHYDRO- 1,2,4]TRIAZOLO 3,4- i i /i ]PURIN-5-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2002-04-24 EP claimed
WO-2002012246-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2002-02-14 WO claimed
WO-2001007441-A1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2001-02-01 WO claimed
EP-0483772-B1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-09-13 EP claimed
US-5071636-A Polyaminedithiol compounds; nuclear imaging of regional cerebral blood flow NIHON MEDI-PHYSICS CO., LTD. (JP) 1991-12-10 US claimed
EP-0322876-A2 Chelating compounds and their use NIHON MEDI-PHYSICS CO., LTD. (JP) 1989-07-05 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 (5 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-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives HYOU1, CHN2, PURB DRD2 802/4885SLC18A3 3252/4885GRIN2B 509/4885
US-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives PDE5A, PDE3A, PDE2A DRD2 3330/4885SLC18A3 1654/4885GRIN2B 2048/4885
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH DRD2 889/4885SLC18A3 2421/4885GRIN2B 432/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH DRD2 889/4885SLC18A3 2421/4885GRIN2B 432/4885
US-20080293687-A1 Benzamide Compounds HDAC1, HDAC11, HDAC2 DRD2 2923/4885SLC18A3 4803/4885GRIN2B 1321/4885

“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.