SCHEMBL2874838

SCHEMBL2874838

Cc1cc2coc(C3CCNCC3)c2cc1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLG P00747 4/20 0.38
HTR2C P28335 6/20 0.38
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
USP7 Q93009 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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 SCHEMBL10321362 0.98 HTR2C (0.39) PLGHTR2CBCHEACHEUSP7
SCHEMBL10900555 0.88 PLG (0.35) PLGHTR2CGABRA1GABRG2GABRB3
SCHEMBL10902855 0.81 HTR2C (0.44) PLGHTR2CBCHEACHEGABRA1
SCHEMBL10901966 0.81 HTR2C (0.44) PLGHTR2CBCHEACHEUSP7
SCHEMBL10902994 0.80 HTR2C (0.42) HTR2CTLR9TLR7
SCHEMBL10899401 0.79 PLG (0.36) PLGHTR2CUSP7
SCHEMBL10898428 0.75 NPC1 (0.42) HTR2CBCHEACHEGABRA1GABRG2
SCHEMBL10901738 0.75 NPC1 (0.42) BCHEACHEGABRA1GABRG2GABRB3
SCHEMBL10903286 0.75 PLG (0.40) PLGHTR2CGABRA1GABRG2GABRB3
SCHEMBL10902522 0.75 CDC7 (0.40) PLGBCHEACHEUSP7GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105636438-A Pharmaceutical composition comprising an AMPK activator and a serotonin active agent and uses thereof CHEN JIANHONG 2016-06-01 CN claimed
US-4284638-A Pharmaceutical compositions with central depressant and antipsychotic activity having a butyrophenone derivative which is substituted in the 4-position and a C-(2-benzofuranyl)-piperidine or C-(2-benzofuranyl)-tetrahydro-pyridine CIBA-GEIGY CORPORATION (US) 1981-08-18 US claimed
US-4210655-A Anti-depressant benzofuranyl piperidines CIBA-GEIGY CORPORATION (US) 1980-07-01 US claimed
EP-0011606-A2 Pharmaceutical compositions with central depressing and antipsychotic activity CIBA-GEIGY AG (CH) 1980-05-28 EP claimed
US-10898516-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN UNIVERSITY (US) 2021-01-26 US disclosed
US-10568851-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-25 US disclosed
US-10426773-B2 Systems pharmacology for treating ocular disorders CASE WESTERN UNIVERSITY (US) 2019-10-01 US disclosed
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN UNIVERSITY 2019-08-22 US disclosed
US-10272106-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN RESERVE UNIVERSITY (US) 2019-04-30 US disclosed
US-20190099420-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS CASE WESTERN UNIVERSITY 2019-04-04 US disclosed
US-10117868-B2 Systems pharmacology for treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2018-11-06 US disclosed
US-20180071285-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-03-15 US disclosed
US-4971998-A MENSTRUATION, FENFLURAMINE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1990-11-20 US disclosed
EP-0386117-A1 TREATING PREMENSTRUAL OR LATE LUTEAL PHASE SYNDROME MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1990-09-12 EP disclosed
WO-1990004387-A2 COMPOSITIONS FOR TREATING TOBACCO WITHDRAWAL SYMPTOMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1990-05-03 WO disclosed
WO-1989003692-A1 TREATING PREMENSTRUAL OR LATE LUTEAL PHASE SYNDROME MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1989-05-05 WO disclosed
US-4600719-A Tetrahydropyridine and piperidine derivatives CIBA GEIGY CORPORATION (US) 1986-07-15 US disclosed
US-4284638-A Pharmaceutical compositions with central depressant and antipsychotic activity having a butyrophenone derivative which is substituted in the 4-position and a C-(2-benzofuranyl)-piperidine or C-(2-benzofuranyl)-tetrahydro-pyridine CIBA-GEIGY CORPORATION (US) 1981-08-18 US disclosed
US-4210655-A Anti-depressant benzofuranyl piperidines CIBA-GEIGY CORPORATION (US) 1980-07-01 US disclosed
EP-0011606-A2 Pharmaceutical compositions with central depressing and antipsychotic activity CIBA-GEIGY AG (CH) 1980-05-28 EP 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 (8 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-10426773-B2 Systems pharmacology for treating ocular disorders GRK1, MTNR1A, MTNR1B PLG 883/4885HTR2C 291/4885BCHE 1118/4885
US-20180071285-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS GRK1, MTNR1A, MTNR1B PLG 883/4885HTR2C 291/4885BCHE 1118/4885
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 PLG 930/4885HTR2C 1847/4885BCHE 3507/4885
US-10272106-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 PLG 930/4885HTR2C 1847/4885BCHE 3507/4885
US-20190099420-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS GRK1, MTNR1A, MTNR1B PLG 883/4885HTR2C 291/4885BCHE 1118/4885
US-10117868-B2 Systems pharmacology for treating ocular disorders GRK1, MTNR1A, MTNR1B PLG 883/4885HTR2C 291/4885BCHE 1118/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 PLG 1079/4885HTR2C 3728/4885BCHE 2958/4885
US-10898516-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 PLG 930/4885HTR2C 1847/4885BCHE 3507/4885

“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.