SCHEMBL3676159

SCHEMBL3676159

CCN1CCN(c2nccc3cc(Cl)ccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.61
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HRH4 Q9H3N8 1/20 0.46
CYP3A4 P08684 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD3 P35462 1/20 0.45
OPRK1 P41145 1/20 0.45
PDE4D Q08499 1/20 0.45
KCNH2 Q12809 1/20 0.45
PDE3A Q14432 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL3683519 0.89 HTT (0.64) HTTLMNATP53KDM4ENPC1
SCHEMBL3681254 0.85 HRH4 (0.64) HRH4RAD52HTR1AHTR1DHTR1B
SCHEMBL3679025 0.82 LRRK2 (0.47) HTTLMNAKDM4EMAPK1ALDH1A1
SCHEMBL3683535 0.80 HRH4 (0.70) LMNAKDM4ENPC1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL31587782 0.80 ACHE (0.45) HTTLMNATP53ALDH1A1KMT2A
SCHEMBL3683092 0.79 HTR2C (0.64) HRH4HTR1A
Hydrochloric Acid SCHEMBL31587078 0.78 HTR2C (0.62) HRH4HTR1A
SCHEMBL3679676 0.77 TP53 (0.47) HTTLMNATP53ALDH1A1KMT2A
SCHEMBL4023615 0.77 MAT2A (0.47) KMT2AMEN1HRH4HRH3CYP1A2
SCHEMBL15372410 0.76 DRD2 (0.46) HTTLMNAALDH1A1KMT2AHRH4

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 HTT 1924/4885LMNA 3615/4885TP53 4370/4885

“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.