SCHEMBL4403720

SCHEMBL4403720

CC(C)(C)C1c2ccccc2-c2ccccc2N1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.44
POLB P06746 4/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
HDAC4 P56524 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31
KCNA3 P22001 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
CYP1A2 P05177 2/20 0.31

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
SCHEMBL12570336 0.68 GPR3 (0.40) GPR3GAAALDH1A1KDM4ELMNA
SCHEMBL13434937 0.67 GPR3 (0.40) GPR3POLBGAAALDH1A1KDM4E
SCHEMBL13663472 0.67 GPR3 (0.40) GPR3POLBALDH1A1KDM4EHTR2A
SCHEMBL2629452 0.67 PTPN1 (0.49) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL5215097 0.67 ESR1 (0.46) GAAALDH1A1LMNANPSR1KCNA3
SCHEMBL16623702 0.66 GPR3 (0.50) GPR3POLBGAAALDH1A1KDM4E
SCHEMBL22548875 0.66 ALDH1A1 (0.40) GPR3POLBGAAALDH1A1KDM4E
SCHEMBL3922127 0.65 GPR3 (0.46) GPR3POLBALDH1A1LMNAMEN1
SCHEMBL10204112 0.65 ALDH1A1 (0.42) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL14984417 0.65 ANPEP (0.39) GAAALDH1A1MEN1KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8178535-B2 Substituted sulfonamide compounds having bradykinin 1 receptor activity and use thereof as medicaments GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 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 (5 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 GPR3 128/4885POLB 3342/4885GAA 2480/4885
US-20090298812-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 GPR3 174/4885POLB 4518/4885GAA 3077/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A GPR3 2376/4885POLB 2974/4885GAA 1902/4885
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 GPR3 176/4885POLB 4558/4885GAA 3388/4885
US-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 GPR3 226/4885POLB 4364/4885GAA 2852/4885

“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.