SCHEMBL3406327

SCHEMBL3406327

NC(=O)C1(c2ccncc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.58
CYP2D6 P10635 8/20 0.58
TSHR P16473 4/20 0.58
CYP2C19 P33261 1/20 0.58
ALDH1A1 P00352 2/20 0.52
CYP2C9 P11712 4/20 0.51
CYP1A2 P05177 2/20 0.51
OPRL1 P41146 1/20 0.50
CHRM2 P08172 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
POLB P06746 1/20 0.49
USP2 O75604 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
TP53 P04637 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
SCHEMBL476242 0.90 OPRL1 (0.60) CYP3A4CYP2D6TSHRALDH1A1OPRL1
Hydrochloric Acid SCHEMBL2158958 0.89 POLB (0.61) CYP3A4CYP2D6TSHRALDH1A1OPRL1
SCHEMBL3411033 0.86 CHRM2 (0.57) CYP3A4CYP2D6TSHRCYP2C19ALDH1A1
SCHEMBL2702170 0.84 ALDH1A1 (0.55) CYP2D6TSHRALDH1A1OPRL1MEN1
SCHEMBL10567546 0.82 TSHR (0.54) CYP3A4CYP2D6TSHRALDH1A1OPRL1
SCHEMBL31567152 0.81 TSHR (0.53) CYP3A4CYP2D6TSHRALDH1A1OPRL1
SCHEMBL8640488 0.81 CHRM2 (0.54) CYP3A4CYP2D6TSHRCYP2C19ALDH1A1
SCHEMBL30702468 0.80 TSHR (0.50) CYP3A4CYP2D6TSHRCYP2C19ALDH1A1
SCHEMBL2699787 0.80 CHRM2 (0.55) CYP2D6TSHRALDH1A1OPRL1CHRM2
SCHEMBL3408512 0.79 CYP3A4 (0.54) CYP3A4CYP2D6TSHRCYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CYP3A4 84/4885CYP2D6 48/4885TSHR 3282/4885

“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.