SCHEMBL461208

SCHEMBL461208

C=CCc1cccc2c1C(=O)N(Br)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
AKR1B1 P15121 1/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
ELANE P08246 1/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL27697384 0.81 ANPEP (0.36) MEN1KMT2AANPEPDPP4
SCHEMBL7687360 0.81 ANPEP (0.38) MEN1KMT2AANPEPDPP4CA12
SCHEMBL11498102 0.81 GABRA1 (0.50) GABRA1GABRB2AKR1B1LMNAGAA
SCHEMBL4380150 0.81 TYMS (0.49) GABRA1GABRB2AKR1B1LMNAGAA
SCHEMBL3259476 0.81 GABRA1 (0.46) GABRA1GABRB2AKR1B1LMNAGAA
SCHEMBL10582948 0.79 CASP3 (0.55) GABRA1GABRB2AKR1B1LMNAGAA
SCHEMBL4379341 0.78 CYP1B1 (0.49) GABRA1GABRB2AKR1B1LMNAGAA
SCHEMBL5824091 0.72 GABRA1 (0.58) GABRA1GABRB2AKR1B1LMNAGAA
SCHEMBL461695 0.71 GABRA1 (0.50) GABRA1GABRB2AKR1B1LMNAGAA
SCHEMBL38652483 0.71 GABRA1 (0.50) GABRA1GABRB2AKR1B1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 US disclosed
US-9260473-B2 Bivalent multifunctional ligands targeting Aβ oligomers as treatment for Alzheimer's disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2016-02-16 US disclosed
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
US-20130156705-A1 BIVALENT MULTIFUNCTIONAL LIGANDS TARGETING A[BETA] OLIGOMERS AS TREATMENT FOR ALZHEIMER'S DISEASE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2013-06-20 US disclosed
WO-2012012257-A2 BIVALENT MULTIFUNCTIONAL LIGANDS TARGETING Aβ OLIGOMERS AS TREATMENT FOR ALZHEIMER'S DISEASE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2012-01-26 WO disclosed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
EP-2311824-A1 Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgetics Aventis Pharmaceuticals Inc. (US) 2011-04-20 EP disclosed
WO-2010038948-A2 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2010-04-08 WO disclosed
US-5550130-A ANTIPSYCHOTIC AGENTS, ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-08-27 US disclosed
EP-0686642-A2 Modified guanidino and amidino thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-12-13 EP disclosed
WO-1995011680-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-05-04 WO disclosed
EP-0623595-A1 Guanidinyl- or amidinyl-substituted heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-11-09 EP disclosed
EP-0087853-B1 4-DIPHENYLMETHYL-1-(OXOALKYL)IMINO)METHYL-PIPERIDINES AND THEIR DERIVATIVES McNeilab, Inc. (US) 1986-04-30 EP disclosed
EP-0087853-A2 4-Diphenylmethyl-1-(oxoalkyl)imino)methyl-piperidines and their derivatives McNeilab, Inc. (US) 1983-09-07 EP disclosed
US-4370335-A Antisecretory 4-diphenylmethyl-1-[(oxoalkyl)imino]methyl-piperidines and their derivatives MCNEILAB, INC. (US) 1983-01-25 US disclosed
US-4211703-A CHEMICAL INTERMEDIATES FOR CEPHALOSPORINS SMITHKLINE CORPORATION (US) 1980-07-08 US disclosed
US-4189573-A CHEMICAL INTERMEDIATES SMITHKLINE CORPORATION (US) 1980-02-19 US disclosed
US-4112086-A BACTERICIDE SMITHKLINE CORPORATION (US) 1978-09-05 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 (4 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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 GABRA1 1735/4885GABRB2 3214/4885AKR1B1 3480/4885
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS NPY5R, TPH2, MC5R GABRA1 488/4885GABRB2 474/4885AKR1B1 1495/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 GABRA1 1735/4885GABRB2 3214/4885AKR1B1 3480/4885
US-20130156705-A1 BIVALENT MULTIFUNCTIONAL LIGANDS TARGETING A[BETA] OLIGOMERS AS TREATMENT FOR ALZHEIMER'S DISEASE LDLR, NR1H2, MSR1 GABRA1 345/4885GABRB2 200/4885AKR1B1 645/4885

“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.