SCHEMBL6445345

SCHEMBL6445345

CC(=O)NC1CCCc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.68
ALDH1A1 P00352 5/20 0.67
TAS1R3 Q7RTX0 3/20 0.66
TAS1R1 Q7RTX1 3/20 0.66
TAS1R2 Q8TE23 2/20 0.66
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
EPHX1 P07099 1/20 0.65
LMNA P02545 2/20 0.62
HSD17B10 Q99714 1/20 0.61
KDM4E B2RXH2 1/20 0.61

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
SCHEMBL31301105 1.00 HTT (0.68) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL607818 1.00 HTT (0.68) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL8340594 1.00 HTT (0.68) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL19658435 0.95 EPHX1 (0.63) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL600676 0.90 PDPK1 (0.61) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL2466144 0.90 PDPK1 (0.61) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL1988494 0.90 PDPK1 (0.61) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL8029932 0.90 PDPK1 (0.61) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL11266196 0.88 KMT2A (0.67) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL1568062 0.85 KMT2A (0.71) HTTALDH1A1TAS1R3TAS1R1TAS1R2

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed
US-4332724-A OXIDATION IN PRESENCE OF COBALT CATALYST AMERICAN CYANAMID CO. (US) 1982-06-01 US claimed
US-4254268-A OXIDIZED BY POTASSIUM PERMANGANATE AMERICAN CYANAMID COMPANY (US) 1981-03-03 US claimed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-8952176-B2 Heterocyclic compound having type I 11 β hydroxysteroid dehydrogenase inhibitory activity SHIONOGI & CO., LTD. (JP) 2015-02-10 US disclosed
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
WO-2012175654-A1 TETRALINE SULFONAMIDE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS FACULTES UNIVERSITAIRES NOTRE-DAME DE LA PAIX (BE) 2012-12-27 WO disclosed
WO-2011143772-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 WO disclosed
EP-0253257-B1 SUBSTITUTED AMINO-5,6,7,8-TETRAHYDRONAPHTHYL-OXYACETIC ACIDS, METHOD FOR THEIR PREPARATION AND THEIR APPLICATION AS MEDICAMENTS BAYER AG (DE) 1990-11-14 EP disclosed
EP-0253257-A2 Substituted amino-5,6,7,8-tetrahydronaphthyl-oxyacetic acids, method for their preparation and their application as medicaments BAYER AG (DE) 1988-01-20 EP disclosed
US-4677193-A GONADOTROPIN-RELEASING FACTOR ANALOGS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1987-06-30 US disclosed
EP-0192492-A2 Peptides containing an aliphatic-aromatic ketone side chain THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1986-08-27 EP disclosed
US-4332724-A OXIDATION IN PRESENCE OF COBALT CATALYST AMERICAN CYANAMID CO. (US) 1982-06-01 US disclosed
US-4254268-A OXIDIZED BY POTASSIUM PERMANGANATE AMERICAN CYANAMID COMPANY (US) 1981-03-03 US disclosed
US-4199510-A Process for oxidation of 4-amidotetrahydrobenzo [b]-thiophenes to 7-keto derivatives with cobaltic salts AMERICAN CYANAMID COMPANY (US) 1980-04-22 US disclosed
US-4091018-A ANIMAL GROWTH PROMOTERS AMERICAN CYANAMID COMPANY (US) 1978-05-23 US disclosed
US-4049717-A INTERMEDIATES FOR UREAS AND THIOUREAS AMERICAN CYANAMID COMPANY (US) 1977-09-20 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 (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-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 HTT 4377/4885ALDH1A1 1104/4885TAS1R3 3025/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR HTT 4284/4885ALDH1A1 374/4885TAS1R3 2580/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 HTT 832/4885ALDH1A1 1563/4885TAS1R3 2612/4885

“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.