SCHEMBL8353735

SCHEMBL8353735

CCCc1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 2/20 0.57
▸ ALDH1A1 P00352 3/20 0.55
▸ MAPT P10636 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ ADRA2C P18825 1/20 0.55
▸ GFER P55789 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ PTK2B Q14289 1/20 0.55
▸ ESR2 Q92731 1/20 0.55
▸ NCF1 P14598 1/20 0.54
▸ HDAC3 O15379 3/20 0.50
▸ HDAC8 Q9BY41 3/20 0.50
▸ SIRT6 Q8N6T7 1/20 0.47
▸ S1PR1 P21453 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ MGLL Q99685 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8349588 0.84 CHKA (0.51) CHKAALDH1A1MAPTGAAKDM4E
SCHEMBL27249154 0.84 CHKA (0.51) CHKAALDH1A1MAPTGAAKDM4E
SCHEMBL178275 0.84 ALDH1A1 (0.63) CHKAALDH1A1MAPTGAAKDM4E
SCHEMBL18774112 0.83 CHKA (0.56) CHKAALDH1A1MAPTGAAKDM4E
SCHEMBL15392533 0.83 CHKA (0.65) CHKAALDH1A1MAPTGAAKDM4E
SCHEMBL3973504 0.83 MAPT (0.63) CHKAALDH1A1MAPTGAAKDM4E
SCHEMBL3596202 0.83 CHKA (0.56) CHKAALDH1A1MAPTGAAKDM4E
SCHEMBL13061371 0.82 CHKA (0.53) CHKAALDH1A1MAPTGAAKDM4E
Hydrochloric Acid SCHEMBL21382095 0.81 MAPT (0.61) CHKAALDH1A1MAPTGAAKDM4E
SCHEMBL13061369 0.81 MAPT (0.52) ALDH1A1MAPTGAAKDM4EKMT2A

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
WO-2015134545-A2 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS AND RADIOLIGANDS AS PROBES IN NOCICEPTIVE PROCESSING AND THE PATHPHYSIOLOGICAL STUDY OF MEMORY DEFICITS AND CONITIVE DISORDERS THE UNIVERSITY OF MISSISSIPPI (US) 2015-09-11 — — WO disclosed
EP-2086979-B1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS INC (US) 2015-06-03 — — EP disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 — — US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 — — US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 — — US disclosed
WO-2003020278-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2003-03-13 — — 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 (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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CHKA 4252/4885ALDH1A1 1535/4885MAPT 2195/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CHKA 4252/4885ALDH1A1 1535/4885MAPT 2195/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 CHKA 4252/4885ALDH1A1 1535/4885MAPT 2195/4885

“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.

Send feedback