SCHEMBL1470798

SCHEMBL1470798

CC(C)c1ccccc1C(N)CN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRB2 P47870 2/20 0.43
TAAR1 Q96RJ0 6/20 0.41
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
SLC6A2 P23975 3/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL1815884 0.80 GABRA1 (0.43) GABRA1GABRB2TAAR1GABRG2GABRB3
SCHEMBL23075059 0.79 TAAR1 (0.54) GABRA1GABRB2TAAR1GABRG2GABRB3
SCHEMBL11085065 0.79 GABRA1 (0.44) GABRA1GABRB2TAAR1GABRG2GABRB3
Hydrochloric Acid SCHEMBL30421449 0.78 GABRA1 (0.47) GABRA1GABRB2TAAR1GABRG2GABRB3
Hydrochloric Acid SCHEMBL30420927 0.78 GABRA1 (0.47) GABRA1GABRB2TAAR1GABRG2GABRB3
SCHEMBL7591099 0.77 ESR1 (0.46) TAAR1TSHRNISCHMAOA
SCHEMBL28448173 0.77 ESR1 (0.46) TAAR1TSHRNISCHMAOA
SCHEMBL66162 0.77 GABRA1 (0.63) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL29429205 0.77 GABRA1 (0.63) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL23081687 0.75 GABRA1 (0.50) GABRA1GABRB2GABRG2GABRB3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 US disclosed
US-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US disclosed
EP-1660472-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
WO-2005021525-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-10 WO disclosed
US-20050049239-A1 Aryl piperidine amides JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 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 (2 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-20080009521-A1 Aryl Piperidine Amides BDNF, NTRK2, OPRL1 GABRA1 134/4885GABRB2 27/4885TAAR1 46/4885
US-20050049239-A1 Aryl piperidine amides BDNF, NTRK2, OPRL1 GABRA1 134/4885GABRB2 27/4885TAAR1 46/4885

“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.