SCHEMBL12589280

SCHEMBL12589280

CC(C)c1noc2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GRM4 Q14833 1/20 0.41
▸ HTR3A P46098 3/20 0.38
▸ CHRNA7 P36544 2/20 0.38
▸ AHR P35869 3/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ FAAH O00519 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MCL1 Q07820 1/20 0.35

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
SCHEMBL12589285 0.86 FAAH (0.46) KMT2AALDH1A1HTR3AAHRSMN1; SMN2
SCHEMBL21649228 0.80 GRM4 (0.42) KMT2AALDH1A1GRM4LMNAMAPT
SCHEMBL12589310 0.80 GRM4 (0.42) ALDH1A1GRM4HTR3ACHRNA7SMN1; SMN2
SCHEMBL28078490 0.79 GRM4 (0.41) KMT2AALDH1A1GRM4SMN1; SMN2LMNA
SCHEMBL12589320 0.79 ESR1 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL12589297 0.79 GRM4 (0.41) GRM4HTR3ACHRNA7SMN1; SMN2HTR2A
SCHEMBL25597049 0.76 GRM4 (0.40) ALDH1A1GRM4NPC1RAB9AHPGD
SCHEMBL10222158 0.76 ALDH1A1 (0.49) KMT2AALDH1A1GRM4HTR3ACHRNA7
SCHEMBL1839676 0.75 ALDH1A1 (0.51) KMT2AALDH1A1HTR3ACHRNA7AHR
SCHEMBL20992201 0.75 EPHX2 (0.52) GRM4HTR3ARAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 — — US disclosed
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 — — US disclosed
US-20230024012-A1 Protease Inhibitors for Treatment of Coronavirus Infections THE SCRIPPS RESEARCH INSTITUTE 2023-01-26 — — US disclosed
WO-2021191391-A1 AMINOCYCLOBUTANES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 — — WO disclosed
WO-2021191384-A1 ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 — — WO disclosed
US-8653069-B2 Aralkyl substituted piperidine or piperazine derivatives and their use for treating schizophrenia JIANGSU HENGYI PHARMACEUTICAL CO., LTD. (CN) 2014-02-18 — — US disclosed
US-20110160199-A1 Aralkyl Substituted Piperidine or Piperazine Derivatives and Their Use for Treating Schizophrenia JIANGSU GOWORTH INVESTMENT CO. LTD. (CN) 2011-06-30 — — 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-20230024012-A1 Protease Inhibitors for Treatment of Coronavirus Infections ACE, ACE2, TMPRSS2 KMT2A 2364/4885ALDH1A1 3177/4885GRM4 3883/4885
US-20110160199-A1 Aralkyl Substituted Piperidine or Piperazine Derivatives and Their Use for Treating Schizophrenia REN, GRIK5, CAT KMT2A 1380/4885ALDH1A1 506/4885GRM4 243/4885
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections ACE, ACE2, TMPRSS2 KMT2A 2364/4885ALDH1A1 3177/4885GRM4 3883/4885

“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.

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