SCHEMBL3679025

SCHEMBL3679025

CCN1CCN(c2nccc3cc(OC)ccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
DYRK1A Q13627 3/20 0.46
FGFR2 P21802 1/20 0.46
HRH4 Q9H3N8 1/20 0.44
TRPV4 Q9HBA0 1/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43

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
SCHEMBL3678516 0.90 LRRK2 (0.50) LRRK2DRD2DRD4MAPTMAPK1
SCHEMBL3678839 0.85 HRH4 (0.61) DRD2DRD4MAPK1DYRK1AHRH4
SCHEMBL27111635 0.83 DRD2 (0.49) DRD2DRD4DYRK1AHRH4TUBB4A
SCHEMBL31502029 0.82 DRD2 (0.52) DRD2DRD4DYRK1AHRH4
SCHEMBL20813811 0.82 DRD2 (0.52) DRD2DRD4DYRK1AHRH4
SCHEMBL3676159 0.82 HTT (0.61) MAPTMAPK1HRH4HTTALDH1A1
SCHEMBL3686249 0.82 HTR2C (0.59) DYRK1A
SCHEMBL4767872 0.79 HRH3 (0.49) LRRK2MAPTMAPK1HRH4TRPV4
SCHEMBL4771047 0.79 SMN1; SMN2 (0.51) LRRK2DRD2DRD4MAPTHRH4
Hydrochloric Acid SCHEMBL4770506 0.78 HRH3 (0.48) LRRK2MAPTMAPK1HRH4TRPV4

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 8 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
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 LRRK2 593/4885DRD2 172/4885DRD4 206/4885

“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.