SCHEMBL1806368

SCHEMBL1806368

O=C(O)N1C[C@H]2CCN(Cc3ccccc3)c3ccccc3[C@@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 10/20 0.45
CACNA1H O95180 10/20 0.45
CACNA1I Q9P0X4 10/20 0.45
BRD4 O60885 4/20 0.44
SIRT1 Q96EB6 1/20 0.41
TEAD1 P28347 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL1806367 1.00 CACNA1G (0.45) CACNA1GCACNA1HCACNA1IBRD4SIRT1
SCHEMBL1806370 1.00 CACNA1G (0.45) CACNA1GCACNA1HCACNA1IBRD4SIRT1
SCHEMBL1805149 0.80 HTR2A (0.40) TRPV1HTR2AHTR2C
SCHEMBL1805150 0.80 HTR2A (0.40) TRPV1HTR2AHTR2C
SCHEMBL1805148 0.80 HTR2A (0.40) TRPV1HTR2AHTR2C
SCHEMBL1809209 0.78 NOTUM (0.49) BRD4
SCHEMBL1809206 0.78 NOTUM (0.49) BRD4
SCHEMBL1809207 0.78 NOTUM (0.49) BRD4
SCHEMBL5705179 0.76 SIRT2 (0.51) SIRT1
SCHEMBL5705178 0.76 SIRT2 (0.51) SIRT1

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 3 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 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.