SCHEMBL1803544

SCHEMBL1803544

c1ccc(CN2CCC3CNCC3c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 9/20 0.43
CACNA1H O95180 9/20 0.43
CACNA1I Q9P0X4 8/20 0.43
TRPV1 Q8NER1 1/20 0.39
BRD4 O60885 2/20 0.38
SIGMAR1 Q99720 2/20 0.37
TEAD1 P28347 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL1803541 1.00 CACNA1G (0.43) CACNA1GCACNA1HCACNA1ITRPV1BRD4
SCHEMBL1803543 1.00 CACNA1G (0.43) CACNA1GCACNA1HCACNA1ITRPV1BRD4
SCHEMBL17075097 0.79 SIGMAR1 (0.45) CACNA1GCACNA1HCACNA1ITRPV1BRD4
SCHEMBL1806733 0.79 HTR2C (0.36)
SCHEMBL2598180 0.79 HTR2C (0.36)
SCHEMBL1804672 0.76 HRH1 (0.39) TRPV1SIGMAR1
SCHEMBL1804674 0.76 HRH1 (0.39) TRPV1SIGMAR1
SCHEMBL1804670 0.76 HRH1 (0.39) TRPV1SIGMAR1
SCHEMBL1806367 0.74 CACNA1G (0.45) CACNA1GCACNA1HCACNA1ITRPV1BRD4
SCHEMBL1806368 0.74 CACNA1G (0.45) CACNA1GCACNA1HCACNA1ITRPV1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP claimed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US claimed
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US 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-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C CACNA1G 1780/4885CACNA1H 1323/4885CACNA1I 1204/4885

“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.