SCHEMBL3411033

SCHEMBL3411033

NC(=O)C1(c2cccnc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.57
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.51
CYP2D6 P10635 3/20 0.50
OPRL1 P41146 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.48
OPRM1 P35372 2/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47

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
SCHEMBL6422989 0.90 CHRM2 (0.59) CHRM2ALDH1A1LMNATSHRCYP2D6
SCHEMBL476242 0.87 OPRL1 (0.60) CHRM2ALDH1A1LMNATSHRCYP2D6
SCHEMBL3406327 0.86 CYP3A4 (0.58) CHRM2ALDH1A1TSHRCYP2D6OPRL1
Hydrochloric Acid SCHEMBL2158958 0.86 POLB (0.61) CHRM2ALDH1A1LMNATSHRCYP2D6
SCHEMBL701023 0.83 OPRM1 (0.63) KDM4EOPRM1OPRD1OPRK1
SCHEMBL30702468 0.82 TSHR (0.50) CHRM2ALDH1A1TSHRCYP2D6OPRL1
SCHEMBL23647599 0.81 ALDH1A1 (0.52) ALDH1A1LMNACYP2D6OPRL1MEN1
SCHEMBL639574 0.81 OPRL1 (0.73) CHRM2ALDH1A1LMNAOPRL1MEN1
SCHEMBL10002454 0.80 OPRM1 (0.49) ALDH1A1LMNAOPRL1MEN1KMT2A
SCHEMBL10567546 0.79 TSHR (0.54) CHRM2ALDH1A1LMNATSHRCYP2D6

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
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
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 CHRM2 4419/4885ALDH1A1 863/4885LMNA 2546/4885

“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.