SCHEMBL3683535

SCHEMBL3683535

CCN1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.70
HTR2C P28335 1/20 0.61
SORD Q00796 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
MEN1 O00255 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
Benzenesulfonamide SCHEMBL4793642 0.87 HRH4 (0.54) HRH4HTR2CSORDSMN1; SMN2KMT2A
SCHEMBL8134047 0.84 HRH4 (0.64) HRH4HTR2CSORDLMNAKDM4E
SCHEMBL605232 0.83 HRH4 (1.00) HRH4HTR2CSORD
SCHEMBL3677928 0.83 HRH4 (0.49) HRH4SMN1; SMN2KMT2ACYP1A2CYP2C19
SCHEMBL6232120 0.82 HRH4 (0.62) HRH4HTR2CSORDSMN1; SMN2L3MBTL1
SCHEMBL6711651 0.82 HRH4 (0.67) HRH4HTR2CSORD
SCHEMBL6714160 0.82 HRH4 (0.67) HRH4HTR2CSORDSMN1; SMN2KMT2A
SCHEMBL17847588 0.82 HRH4 (0.67) HRH4HTR2CSORD
SCHEMBL7520224 0.82 HRH4 (0.67) HRH4HTR2CSORD
SCHEMBL3688922 0.82 ACKR3 (0.52) HRH4SMN1; SMN2KMT2ACYP1A2CYP2C19

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 10 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
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP 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 38/4885HTR2C 14/4885SORD 3741/4885

“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.