SCHEMBL3280208

SCHEMBL3280208

O=C(C1CCNCC1)N1CCc2ccccc2C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.74
MAPT P10636 3/20 0.62
POLB P06746 1/20 0.62
HTT P42858 1/20 0.62
ALDH1A1 P00352 6/20 0.56
HPGD P15428 4/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 2/20 0.56
LMNA P02545 2/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TSHR P16473 4/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NOTUM Q6P988 1/20 0.54

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
SCHEMBL30582750 0.89 KEAP1 (0.56) KEAP1MAPTPOLBHTTALDH1A1
SCHEMBL26130407 0.89 KEAP1 (0.56) KEAP1MAPTPOLBHTTALDH1A1
SCHEMBL13085444 0.86 KEAP1 (0.91) KEAP1MAPTPOLBHTTALDH1A1
SCHEMBL10414143 0.84 KEAP1 (0.76) KEAP1MAPTPOLBHTTALDH1A1
SCHEMBL7179616 0.82 KEAP1 (0.74) KEAP1MAPTPOLBHTTALDH1A1
SCHEMBL30068740 0.82 KEAP1 (0.74) KEAP1MAPTPOLBHTTALDH1A1
SCHEMBL8053648 0.81 KEAP1 (0.71) KEAP1MAPTPOLBHTTALDH1A1
SCHEMBL27879953 0.80 KEAP1 (0.70) KEAP1MAPTPOLBHTTALDH1A1
SCHEMBL21867305 0.80 KEAP1 (0.48) KEAP1MAPTPOLBHTTALDH1A1
SCHEMBL22784496 0.79 NOTUM (0.50) KEAP1MAPTPOLBHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 US disclosed
US-7700794-B2 Fluorous tagging compounds and methods of increasing the fluorous nature of compounds UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-04-20 US disclosed
US-7700794-B2 Fluorous tagging compounds and methods of increasing the fluorous nature of compounds UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-04-20 US disclosed
WO-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed
US-20050096478-A1 Fluorous tagging compounds and methods of increasing the fluorous nature of compounds UNIVERSITY OF PITTSBURGH 2005-05-05 US disclosed
US-6825043-B1 FOR DRUG SCREENING/CATALYST DESIGN UNIVERSITY OF PITTSBURGH 2004-11-30 US disclosed
EP-1280765-A2 FLUOROUS TAGGING COMPOUNDS AND THEIR USE UNIVERSITY OF PITTSBURGH (US) 2003-02-05 EP disclosed
WO-2001085675-A2 FLUOROUS TAGGING COMPOUNDS AND THEIR USE UNIVERSITY OF PITTSBURGH (US) 2001-11-15 WO disclosed
US-4945096-A Treatment of a depressive state with 2-[(4-piperidyl)methyl]-1,2,3,4-tetrahydroisoquinoline derivates SYNTHELABO (FR) 1990-07-31 US disclosed
US-4885302-A 2-((4-Piperidyl)methyl)-1,2,3,4-tetrahydroisoquinoline derivatives, their preparation and their application in therapy SYNTHELABO, 58, RUE DE LA GLACIERE - 75013 PARIS 1989-12-05 US disclosed
US-4243666-A HYPOTENSIVE AGENTS PFIZER INC. (US) 1981-01-06 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 (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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA KEAP1 1781/4885MAPT 3004/4885POLB 4131/4885
US-20050096478-A1 Fluorous tagging compounds and methods of increasing the fluorous nature of compounds AFF1, AFF2, AFF4 KEAP1 1999/4885MAPT 4416/4885POLB 2667/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA KEAP1 1781/4885MAPT 3004/4885POLB 4131/4885

“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.