Sugi Predict

Sugi Predict / Compounds / SCHEMBL3685288

SCHEMBL3685288

SCHEMBL3685288

COc1cccc([C@H]2CC[C@H](N3CCN(c4nccc5ccc(Cl)cc45)CC3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.60
▸ ADRA1D P25100 2/20 0.60
▸ ADRA1A P35348 2/20 0.60
▸ ADRA1B P35368 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.41
▸ TRPV6 Q9H1D0 1/20 0.41
▸ CXCR3 P49682 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ HTR2C P28335 1/20 0.38

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
SCHEMBL3680788 1.00 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL3690738 0.92 HTR1A (0.64) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL3681806 0.92 HTR1A (0.64) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL14761648 0.75 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL8762631 0.73 HRH4 (0.56) KDM4EHRH3TRPV6HTR2C
SCHEMBL8763960 0.73 HRH4 (0.56) KDM4EHRH3TRPV6HTR2C
SCHEMBL8762637 0.73 HRH4 (0.56) KDM4EHRH3TRPV6HTR2C
SCHEMBL14762077 0.72 HTR1A (0.72) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL3678060 0.72 DRD2 (0.64) HTR1ADRD2
SCHEMBL3686354 0.71 HRH4 (0.58) HTR1ALMNAHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR1A 3/4885ADRA1D 100/4885ADRA1A 103/4885

“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.