SCHEMBL231585

SCHEMBL231585

c1ccc2c(c1)CC1(CCNCC1)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.49
HTR2C P28335 4/20 0.44
HTR2B P41595 2/20 0.44
KCNH2 Q12809 3/20 0.40
OPRK1 P41145 1/20 0.40
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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 SCHEMBL10502202 0.98 OPRD1 (0.48) OPRD1HTR2CHTR2BKCNH2OPRK1
SCHEMBL863351 0.93 OPRD1 (0.44) OPRD1HTR2CHTR2BKCNH2OPRK1
SCHEMBL11254844 0.89 OPRD1 (0.43) OPRD1HTR2CHTR2BKCNH2OPRK1
SCHEMBL29418152 0.89 OPRD1 (0.43) OPRD1HTR2CHTR2BKCNH2OPRK1
Hydrochloric Acid SCHEMBL3226548 0.88 OPRD1 (0.42) OPRD1HTR2CHTR2BKCNH2OPRK1
SCHEMBL22032186 0.86 SIGMAR1 (0.44) OPRD1HTR2CKCNH2CYP2D6TSHR
SCHEMBL30538343 0.85 SIGMAR1 (0.53) OPRD1HTR2CHTR2BKCNH2OPRK1
SCHEMBL471621 0.85 SIGMAR1 (0.53) OPRD1HTR2CHTR2BKCNH2OPRK1
Hydrochloric Acid SCHEMBL2345566 0.84 SIGMAR1 (0.51) OPRD1HTR2CHTR2BKCNH2OPRK1
SCHEMBL7858958 0.82 SIGMAR1 (0.41) CYP2D6TSHRCYP2C19CYP1A2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 US claimed
EP-4010335-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-06-15 EP claimed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 WO claimed
EP-3772513-A1 SHP2 INHIBITORS C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2021-02-10 EP claimed
EP-2120935-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA AstraZeneca AB (SE) 2009-11-25 EP claimed
WO-2008103126-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2008-08-28 WO claimed
EP-0351282-B1 (1-Hydroxy-2-piperidinyl alkyl)-2-indolone, 2-quinolinones, 2-benzo[b]azepinone, 2-benzimidazolone and 2-quinazolinone derivatives, their preparation and therapeutical use SYNTHELABO (FR) 1993-10-27 EP claimed
US-5034401-A Cardiovascular disorders or antiischemia agents SYNTHELABO (FR) 1991-07-23 US claimed
EP-0104632-A2 1'-(3-(1,2-Benzisoxazol-3-yl)propyl)spiro-(benzofuran-2-(3H),3' or 4'-piperidine or 3'-pyrrolidines), a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-04-04 EP claimed
US-4166119-A Analgesic and tranquilizing spiro[dihydrobenzofuran]piperidines and pyrrolidines AMERICAN HOECHST CORPORATION (US) 1979-08-28 US claimed
EP-3233077-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2026-05-06 EP disclosed
US-12448392-B2 Spiropiperidine derivatives CEPHALON LLC (US) 2025-10-21 US disclosed
US-12428373-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2025-09-30 US disclosed
CN-119462695-A Pyridine derivative and application thereof 康百达(四川)生物医药科技有限公司 2025-02-18 CN disclosed
CN-113795483-B Carboxamide-pyrimidine derivatives as SHP2 antagonists 默克专利有限公司 2024-12-31 CN disclosed
EP-0004951-B1 N-(3-BENZOYLPROPYL)-SPIRO-(DIHYDROBENZOFURANPIPERIDINES AND -PYRROLIDINES), DERIVATIVES THEREOF, METHODS FOR THEIR PREPARATION AND THEIR USE FOR MEDICINES HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-13 EP disclosed
EP-0004951-A1 N-(3-benzoylpropyl)-spiro-(dihydrobenzofuranpiperidines and -pyrrolidines), derivatives thereof, methods for their preparation and their use for medicines HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-31 EP disclosed
EP-0004952-A1 Spiro-(dihydrobenzofuranpiperidines and -pyrrolidines) and derivatives thereof, methods for their preparation and medicines containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-31 EP disclosed
US-4166120-A Analgesic and tranquilizing benzoylpropyl-spiro[dihydrobenzofuran]piperidines and pyrrolidines AMERICAN HOECHST CORPORATION (US) 1979-08-28 US disclosed
US-4166119-A Analgesic and tranquilizing spiro[dihydrobenzofuran]piperidines and pyrrolidines AMERICAN HOECHST CORPORATION (US) 1979-08-28 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-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 OPRD1 4416/4885HTR2C 4664/4885HTR2B 4716/4885
US-12428373-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 OPRD1 9/4885HTR2C 22/4885HTR2B 96/4885
US-12448392-B2 Spiropiperidine derivatives FASN, FADS2, SCD5 OPRD1 1438/4885HTR2C 1912/4885HTR2B 2263/4885

“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.