SCHEMBL4510246

SCHEMBL4510246

[CH2]CN(Cc1cccs1)Cc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRA2A P08913 4/20 0.44
ADRA2B P18089 4/20 0.44
ADRA2C P18825 3/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 4/20 0.41
RIPK1 Q13546 1/20 0.40
CYP2C19 P33261 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HSD11B1 P28845 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL5270807 0.78 TAAR1 (0.48) TAAR1POLBTDP1HPGDSMN1; SMN2
SCHEMBL2401467 0.78 TRPM8 (0.46) TAAR1POLBTDP1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL29384758 0.75 TAAR1 (0.45) TAAR1POLBTDP1ADRA2AADRA2B
Bromide SCHEMBL29387177 0.75 TAAR1 (0.45) TAAR1POLBTDP1ADRA2AADRA2B
SCHEMBL7298027 0.75 ADRA2A (0.44) TAAR1POLBTDP1ADRA2AADRA2B
SCHEMBL72881 0.75
SCHEMBL55039 0.74
SCHEMBL2030841 0.73 TAAR1 (0.71) TAAR1POLBTDP1ADRA2AADRA2B
SCHEMBL1304013 0.73
SCHEMBL20217924 0.73 TAAR1 (0.52) TAAR1POLBTDP1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP claimed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP claimed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US claimed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US claimed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US claimed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US claimed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US claimed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 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 (3 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R TAAR1 185/4885POLB 2338/4885TDP1 4591/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R TAAR1 185/4885POLB 2338/4885TDP1 4591/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R TAAR1 81/4885POLB 1584/4885TDP1 4004/4885

“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.