SCHEMBL506893

SCHEMBL506893

COc1cccc2c1CCCC2

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.54
DRD3 P35462 4/20 0.54
CHRM2 P08172 3/20 0.53
CHRM1 P11229 3/20 0.53
CHRM3 P20309 3/20 0.53
DRD1 P21728 1/20 0.53
DRD5 P21918 1/20 0.53
DRD4 P21917 2/20 0.51
BCL2L1 Q07817 1/20 0.50
BAD Q92934 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL29354471 1.00 DRD2 (0.54) DRD2DRD3CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL7450143 0.98 DRD2 (0.53) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL2231378 0.96 DRD2 (0.54) DRD2DRD3CHRM2CHRM1CHRM3
Ammonia Solution, Strong SCHEMBL10371305 0.94 DRD2 (0.53) DRD2DRD3CHRM2CHRM1CHRM3
Isopropylamine SCHEMBL29202181 0.91 DRD2 (0.51) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL19133719 0.87 DRD2 (0.58) DRD2DRD3CHRM2CHRM1CHRM3
Ammonia Solution, Strong SCHEMBL7667257 0.85 DRD2 (0.56) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL31312989 0.83 BCL2L1 (0.54) BCL2L1BADSMN1; SMN2
SCHEMBL34467116 0.82 DRD2 (0.50) DRD2DRD3CHRM2CHRM1CHRM3
Ethylenediamine SCHEMBL11004709 0.82 DRD2 (0.47) DRD2DRD3CHRM2CHRM1CHRM3

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 172 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-20250368652-A1 MICROBIOCIDAL BICYCLIC HETEROCYCLIC CARBOXAMIDE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2025-12-04 US disclosed
CN-117965476-A Reductive amination enzyme mutant and application thereof in rotigotine molecular synthesis 中国科学院天津工业生物技术研究所 2024-05-03 CN disclosed
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
US-20220315961-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2022-10-06 US disclosed
WO-2022208382-A1 NOVEL DIALKOXYNAPHTHO[2,3-C]FURAN-1(3H)-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESPIRATORY DISEASE OR SARS-COV-2 INFECTION DISEASE, COMPRISING SAME 동화약품주식회사 2022-10-06 WO disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
CN-106459019-B Oxazoline compounds 巴斯夫欧洲公司 2020-01-17 CN disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 US disclosed
US-4920227-A Benzobicyclic carboxamide 5-HT3 antagonists RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4837301-A FROM ALKALI MTEAL SULFIDES AND AROMATIC DIHALOGEN COMPOUNDS; IMPROVED CORROSION RESISTANCE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-06 US disclosed
US-4677193-A GONADOTROPIN-RELEASING FACTOR ANALOGS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1987-06-30 US disclosed
EP-0200942-A2 New derivatives of an aminoketone NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1986-11-12 EP 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-4594195-A 5,6,7,8-tetrahydro-napthonitrile intermediates BEECHAM GROUP P.L.C. (GB) 1986-06-10 US disclosed
US-4539319-A Amidine derivatives BEECHAM GROUP P.L.C. (GB) 1985-09-03 US disclosed
EP-0097463-A2 Amidine derivatives BEECHAM GROUP PLC (GB) 1984-01-04 EP disclosed
US-4115216-A QUARTERNARY AMMONIUM COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed
US-3984440-A FOR NEOPLASIAS, DERMATOSES, INFLAMMATION AND ALLERGIES HOFFMANN-LA ROCHE INC. (US) 1976-10-05 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 (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-20250368652-A1 MICROBIOCIDAL BICYCLIC HETEROCYCLIC CARBOXAMIDE DERIVATIVES CASP1, ARG2, MPO DRD2 1635/4885DRD3 1260/4885CHRM2 478/4885
US-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 DRD2 622/4885DRD3 504/4885CHRM2 162/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 DRD2 622/4885DRD3 504/4885CHRM2 162/4885

“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.