SCHEMBL3677928

SCHEMBL3677928

CCN1CCN(c2nccc3ccc(-c4ccccc4)cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.49
CYP2D6 P10635 1/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PRMT5 O14744 1/20 0.44
SYK P43405 1/20 0.44

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
SCHEMBL3674578 0.86 HRH4 (0.68) HRH4CYP2D6LMNATSHRKMT2A
SCHEMBL3683535 0.83 HRH4 (0.70) HRH4SMN1; SMN2LMNAMAPTTSHR
SCHEMBL3679676 0.82 TP53 (0.47) HRH4CYP2D6CNR1CNR2SMN1; SMN2
SCHEMBL3682723 0.81 HTT (0.64) HRH4SMN1; SMN2MAPTTSHRKDM4E
SCHEMBL3677846 0.81 HTR2C (0.68) HRH4CYP2D6LMNAMAPTCYP1A2
SCHEMBL15372410 0.81 DRD2 (0.46) HRH4SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL3683519 0.81 HTT (0.64) HRH4SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL3678516 0.79 LRRK2 (0.50) HRH4LMNAMAPTPLAUALDH1A1
Quinoline SCHEMBL27668556 0.78 HRH4 (0.60) HRH4CYP2D6SMN1; SMN2LMNAMAPT
Benzenesulfonamide SCHEMBL4793642 0.74 HRH4 (0.54) HRH4CYP2D6SMN1; SMN2LMNAMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP disclosed
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
EP-1724267-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2006-11-22 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 (1 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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A HRH4 38/4885CYP2D6 1597/4885CNR1 87/4885

“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.