SCHEMBL991567

SCHEMBL991567

NC1(c2ccc(Br)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
Hydrochloric Acid SCHEMBL5060581 0.97 KDM1A (0.40) CYP2A6ALDH1A1ALOX15MAPK1KDM1A
SCHEMBL9966307 0.90 AKT1 (0.41)
SCHEMBL255382 0.90 AKT2 (0.44)
SCHEMBL24856079 0.88
Hydrochloric Acid SCHEMBL361311 0.88 AKT1 (0.43)
Hydrochloric Acid SCHEMBL17315621 0.88
SCHEMBL9966563 0.84 HDAC3 (0.39) TAAR1
SCHEMBL7991720 0.83 HSD11B1 (0.44)
SCHEMBL10180619 0.78 TAAR1 (0.42) CYP2A6ALDH1A1ALOX15MAPK1KDM1A
SCHEMBL16936319 0.77 OPRM1 (0.50) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US claimed
US-12630554-B2 Pyrimidinone compounds and uses thereof HUTCHISON MEDIPHARMA LIMITED (CN) 2026-05-19 US disclosed
WO-2026090477-A1 HELICASE INHIBITORS AND USES THEREOF KIMIA THERAPEUTICS, INC. (US) 2026-04-30 WO disclosed
US-12527776-B2 Treatment of ciliopathies using inhibitors of glucosylceramide synthase (GCS) GENZYME CORPORATION (US) 2026-01-20 US disclosed
EP-4676927-A1 HETEROCYCLIC COMPOUNDS AS WRN INHIBITORS Synnovation Therapeutics, Inc. (US) 2026-01-14 EP disclosed
US-12479797-B2 Cyclopropyl-amide compounds as dual LSD1/HDAC inhibitors Jubilant Epicore LLC (US) 2025-11-25 US disclosed
WO-2025228828-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT AND PREVENTION OF VIRAL DISEASES MERCK PATENT GMBH (DE) 2025-11-06 WO disclosed
EP-3455204-B1 CYCLOPROPYL-AMIDE COMPOUNDS AS DUAL LSD1/HDAC INHIBITORS Jubilant Epicore LLC (US) 2025-10-29 EP disclosed
US-20250205219-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS AG (CH) 2025-06-26 US disclosed
EP-3920912-B1 TREATMENT OF CILIOPATHIES USING INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE (GCS) GENZYME CORP (US) 2025-06-11 EP disclosed
US-6380256-B1 FOR THERAPY OF DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS ALLERGAN SALES, INC. 2002-04-30 US disclosed
US-6369225-B1 ENZYME INHIBITORS ALLERGAN SALES, INC. 2002-04-09 US disclosed
US-6369261-B1 CYCLOPROPYLBENZENE DERIVATIVE OF ACIDS OR ESTERS ALLERGAN SALES, INC. 2002-04-09 US disclosed
WO-2002026727-A2 METHODS OF PROVIDING AND USING COMPOUNDS (RETINOIDS) HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-04-04 WO disclosed
US-6359135-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2002-03-19 US disclosed
US-6313107-B1 ADMINISTERING TO MAMMAL TO TREAT DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS ALLERGAN SALES, INC. 2001-11-06 US disclosed
US-6303785-B1 SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES ALLERGAN SALES, INC. 2001-10-16 US disclosed
US-6291677-B1 FOR TREATING SKIN-RELATED DISEASES, INCLUDING, ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-INFLAMMATORY ACNE, PSORIASIS, ICHTHYOSES AND KERATINIZATION AND HYPERPROLIFERATIVE DISORDERS OF SKIN ALLERGAN SALES, INC. 2001-09-18 US disclosed
US-6252090-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2001-06-26 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-12527776-B2 Treatment of ciliopathies using inhibitors of glucosylceramide synthase (GCS) GBA1, GBA2, GALC CYP2A6 2075/4885ALDH1A1 1394/4885ALOX15 1602/4885
US-12479797-B2 Cyclopropyl-amide compounds as dual LSD1/HDAC inhibitors HDAC1, HDAC11, HDAC2 CYP2A6 942/4885ALDH1A1 821/4885ALOX15 1486/4885
US-20250205219-A1 TARGETED DEGRADATION OF VAV1 VAV1, KRAS, CBL CYP2A6 4589/4885ALDH1A1 3624/4885ALOX15 3867/4885
US-12630554-B2 Pyrimidinone compounds and uses thereof CYP2D6, TPMT, CYP2B6 CYP2A6 8/4885ALDH1A1 248/4885ALOX15 1340/4885

“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.