SCHEMBL798296

SCHEMBL798296

Fc1ccc2c(c1)CCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 2/20 0.45
KDM1A O60341 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MEN1 O00255 2/20 0.41
HTR1D P28221 1/20 0.40

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
SCHEMBL31593929 1.00 NPC1 (0.52) NPC1RAB9ANFKB1NFKB2RELA
Ethane SCHEMBL28782548 0.95 NPC1 (0.49) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL30634164 0.95 NPC1 (0.47) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL5245075 0.95 NPC1 (0.47) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL8342556 0.89
Dimethylamine SCHEMBL9520534 0.84 NPC1 (0.45) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL6936889 0.81 NPC1 (0.42) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL12430513 0.81 NPC1 (0.42) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL27305458 0.81 HTR1D (0.43) NPC1RAB9ANFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL7346370 0.81 NPC1 (0.40) NPC1RAB9ANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171455-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CONTINEUM THERAPEUTICS INC (US) 2025-05-29 US disclosed
WO-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed
CN-119371459-A Compound and application thereof 重庆医药工业研究院有限责任公司 2025-01-28 CN disclosed
EP-4306166-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USE Aquinnah Pharmaceuticals Inc. (US) 2024-01-17 EP disclosed
EP-4272836-A2 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-11-08 EP disclosed
EP-3557998-B1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-08-16 EP disclosed
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
WO-2007092213-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 WO disclosed
US-20070072926-A1 Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases ALLERGAN, INC. 2007-03-29 US disclosed
CN-1926104-A Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators LILLY CO ELI (US) 2007-03-07 CN disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1727785-A1 PHENYL INDAN DERIVATIVES H.Lundbeck A/S (DK) 2006-12-06 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005087708-A1 PHENYL INDAN DERIVATIVES H. LUNDBECK A/S (DK) 2005-09-22 WO disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed
EP-0708774-A1 IMIDAZO [1,2-A]PYRAZINE-4-ONE, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1996-05-01 EP disclosed
WO-1995002601-A1 IMIDAZO[1,2-a]PYRAZINE-4-ONE, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1995-01-26 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 (5 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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 NPC1 2619/4885RAB9A 3664/4885NFKB1 428/4885
US-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 NPC1 1605/4885RAB9A 1704/4885NFKB1 1175/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 NPC1 3716/4885RAB9A 914/4885NFKB1 3597/4885
US-20250171455-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM3 NPC1 1229/4885RAB9A 1165/4885NFKB1 4390/4885
US-20070072926-A1 Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases ADRA2A, ADRA2B, ADRB2 NPC1 3558/4885RAB9A 1153/4885NFKB1 1599/4885

“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.