SCHEMBL476243

SCHEMBL476243

O=C(NCc1ccccc1)C1(c2ccccc2)CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.71
ALDH1A1 P00352 1/20 0.60
ERCC1 P07992 1/20 0.56
ERCC4 Q92889 1/20 0.56
OPRL1 P41146 2/20 0.55
OPRM1 P35372 2/20 0.54
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
HDAC1 Q13547 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A4 P31645 1/20 0.49
ATM Q13315 1/20 0.48
HPGD P15428 1/20 0.48
MC4R P32245 1/20 0.48

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
SCHEMBL10254952 0.92 TACR1 (0.69) TACR1ALDH1A1ERCC1ERCC4OPRL1
SCHEMBL2470761 0.88 ALDH1A1 (0.65) TACR1ALDH1A1ERCC1ERCC4OPRL1
SCHEMBL378738 0.86 TACR1 (0.58) TACR1ALDH1A1ERCC1ERCC4OPRM1
SCHEMBL5346968 0.85 ERCC1 (0.75) TACR1ALDH1A1ERCC1ERCC4OPRL1
SCHEMBL5704623 0.84 TACR1 (0.76) TACR1ALDH1A1ERCC1ERCC4OPRL1
SCHEMBL378422 0.83 TACR1 (0.56) TACR1OPRL1OPRM1LMNAHDAC1
SCHEMBL12194680 0.83 TACR1 (0.59) TACR1ALDH1A1ERCC1ERCC4OPRL1
SCHEMBL3816356 0.82 MC4R (0.50) TACR1TSHRSMN1; SMN2L3MBTL1SLC6A4
SCHEMBL6375805 0.81 SMN1; SMN2 (0.57) TACR1ALDH1A1ERCC1ERCC4OPRM1
SCHEMBL21077981 0.81 SMN1; SMN2 (0.51) TACR1OPRL1OPRM1TSHRSMN1; SMN2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409457-A1 METHOD FOR PREPARING 4-METHYLAMINO-4-PHENYLPIPERIDINE Sanofi-Aventis (FR) 2004-04-21 EP claimed
WO-2003008381-A1 METHOD FOR PREPARING 4-METHYLAMINO-4-PHENYLPIPERIDINE SANOFI-SYNTHELABO (FR) 2003-01-30 WO claimed
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2411383-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
EP-2324015-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-aventis (FR) 2011-05-25 EP disclosed
WO-2010109150-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 US disclosed
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
EP-1409457-A1 METHOD FOR PREPARING 4-METHYLAMINO-4-PHENYLPIPERIDINE Sanofi-Aventis (FR) 2004-04-21 EP disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 WO disclosed
WO-2003008381-A1 METHOD FOR PREPARING 4-METHYLAMINO-4-PHENYLPIPERIDINE SANOFI-SYNTHELABO (FR) 2003-01-30 WO 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 TACR1 3354/4885ALDH1A1 3941/4885ERCC1 2042/4885
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function KCNH2, KCNN1, KCNJ2 TACR1 3807/4885ALDH1A1 3045/4885ERCC1 1756/4885

“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.