SCHEMBL124395

SCHEMBL124395

O=C(NC1CC1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.79
RAB9A P51151 4/20 0.79
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
SMYD3 Q9H7B4 2/20 0.67
MAPT P10636 1/20 0.61
CARM1 Q86X55 1/20 0.59
PRMT6 Q96LA8 1/20 0.59
ALDH1A1 P00352 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
CTSK P43235 1/20 0.57
PKM P14618 1/20 0.57
EZH2 Q15910 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56

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
SCHEMBL2230140 1.00 NPC1 (0.79) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL27945424 0.98 NPC1 (0.76) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Bicarbonate SCHEMBL11025569 0.98 NPC1 (0.76) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL23573216 0.94 NPC1 (0.71) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4694494 0.92 NPC1 (0.69) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL17627163 0.92 NPC1 (0.68) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL161227 0.92 NPC1 (0.72) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2316588 0.92 NPC1 (0.68) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12425958 0.91 NPC1 (0.67) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6931601 0.91 NPC1 (0.67) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP claimed
EP-4274825-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2023-11-15 EP claimed
CN-116496246-A Isoindoline compound, preparation method, pharmaceutical composition and application 中国药科大学 2023-07-28 CN claimed
US-11602514-B2 Medicament having anti-inflammatory bowel disease function, and preparation method therefor and application thereof SUZHOU PHARMAVAN CO., LTD (CN) 2023-03-14 US claimed
WO-2023033679-A1 (AZACYCLOALKYL)METHOXY-SUBSTITUTED BENZAMIDES AS MODULATORS OF TRACE AMINE-ASSOCIATED RECEPTOR 1 (TAAR1) LIMITED LIABILITY COMPANY «EXCELLENA RESEARCH AND DEVELOPMENT» (LLC «EXCELLENA») (RU) 2023-03-09 WO claimed
CN-115515947-A SHP2 inhibitor and composition and application thereof 贝达药业股份有限公司 2022-12-23 CN claimed
EP-4096626-A1 PHARMACEUTICAL COMPOSITION FOR CONTROLLING PARASITES ON NON-HUMAN ORGANISMS Bayer Animal Health GmbH (DE) 2022-12-07 EP claimed
CN-217698917-U Compound system of fragrant formamido cyclopropane fruit color conversion agent 河南省精细化工研究院有限公司 2022-11-01 CN claimed
EP-3807274-B1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2022-07-27 EP claimed
WO-2022150381-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2022-07-14 WO claimed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US claimed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 US claimed
WO-2009114173-A1 AZABICYCLO [3. 2. I] OCTYL DERIVATIVES AS 11 BETA-HSDL MODULATORS EXELIXIS, INC. (US) 2009-09-17 WO claimed
WO-2008150231-A1 NEW HETEROCYCLIC COMPOUNDS FOR TREATMENT OF RESPIRATORY, AIRWAY OR INFLAMMATORY DISORDERS ASTRAZENECA AB (SE) 2008-12-11 WO claimed
WO-2008136754-A1 NOVEL BENZYL - 2 -OXO-PIPERAZINYL/ 7-OXO/5-OXA- [1,4] DIAZEPANYL/ 2 -OXO- TETRAHYDROPYRIMIDINYL DERIVATIVES ASTRAZENECA AB (SE) 2008-11-13 WO claimed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP claimed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO claimed
EP-0934264-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (US) 1999-08-11 EP claimed
WO-1998012177-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (JP) 1998-03-26 WO claimed
CN-1155278-A Arylthio compounds as antibacteral and antiviral agents WARNER LAMBERT CO (US) 1997-07-23 CN claimed

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-20100105675-A2 11 BETA-HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 NPC1 714/4885RAB9A 2675/4885MEN1 1611/4885
US-11602514-B2 Medicament having anti-inflammatory bowel disease function, and preparation method therefor and application thereof SLC10A2, SI, ALPI NPC1 1698/4885RAB9A 4572/4885MEN1 2515/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 NPC1 734/4885RAB9A 2471/4885MEN1 1393/4885

“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.