SCHEMBL7167351

SCHEMBL7167351

c1ccc2c(c1)CCc1ccccc1N2CC1CO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.47
▸ SLC6A2 P23975 5/20 0.44
▸ SLC6A4 P31645 5/20 0.44
▸ CHRM2 P08172 4/20 0.44
▸ CHRM1 P11229 4/20 0.44
▸ DRD3 P35462 4/20 0.44
▸ SLC22A1 O15245 3/20 0.44
▸ CYP2D6 P10635 3/20 0.44
▸ ADRA1A P35348 3/20 0.44
▸ CACNA1B Q00975 3/20 0.44
▸ SLC6A3 Q01959 3/20 0.44
▸ KCNH2 Q12809 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ DRD2 P14416 3/20 0.44
▸ CHRM3 P20309 3/20 0.44
▸ HRH1 P35367 3/20 0.44
▸ SLC22A2 O15244 2/20 0.44
▸ SLC22A3 O75751 2/20 0.44
▸ ADRA2B P18089 2/20 0.44

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
SCHEMBL14707083 1.00 HTR2A (0.47) HTR2ASLC6A2SLC6A4CHRM2CHRM1
SCHEMBL14707008 1.00 HTR2A (0.47) HTR2ASLC6A2SLC6A4CHRM2CHRM1
SCHEMBL15981159 0.89 DHFR (0.41) HTR2ADRD3ADRA1ADRD2HRH1
SCHEMBL14707071 0.87 MEN1 (0.54) HTR2ASLC6A2SLC6A4CHRM2CHRM1
SCHEMBL29485914 0.87 MEN1 (0.54) HTR2ASLC6A2SLC6A4CHRM2CHRM1
SCHEMBL15985175 0.85 POLB (0.38) HTR2ASLC6A2SLC6A4CHRM2CHRM1
SCHEMBL15835892 0.80 HTR7 (0.48) DRD3DRD2HTR1ADRD4DRD5
SCHEMBL7832589 0.78 SLC6A2 (0.51) HTR2ASLC6A2SLC6A4ADRA1ASLC6A3
SCHEMBL11677590 0.77 HRH3 (0.53) SLC6A2SLC6A4CHRM2CHRM1DRD3
SCHEMBL11680549 0.77 SLC6A2 (0.53) HTR2ASLC6A2SLC6A4CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135809-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-05-09 — — US disclosed
US-20190135809-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-05-09 — — US disclosed
US-20170305906-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-26 — — US disclosed
US-20170305906-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-26 — — US disclosed
US-20170305906-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-26 — — US disclosed
US-9701676-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-07-11 — — US disclosed
US-9701676-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-07-11 — — US disclosed
US-9701676-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-07-11 — — US disclosed
US-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 — — US disclosed
US-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 — — US disclosed
US-20140057900-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-27 — — US disclosed
US-20140057900-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-27 — — US disclosed
WO-2013025882-A2 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2013-02-21 — — WO disclosed
WO-2013025882-A2 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2013-02-21 — — WO disclosed
US-6569849-B1 N-Substituted azaheterocyclic compounds NOVO NORDISK A/S (DK) 2003-05-27 — — US disclosed
EP-0934306-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-08-11 — — EP disclosed
WO-1998015546-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-04-16 — — WO disclosed
EP-0107134-A1 Tricyclic antidepressant drug immunogens, antibodies, labeled conjugates, and related derivatives MILES LABORATORIES, INC. (US) 1984-05-02 — — EP disclosed
US-4029783-A CARDIOTONIC, VASODILATION BOEHRINGER MANNHEIM G.M.B.H. (DT) 1977-06-14 — — US disclosed
US-3998810-A CARDIAC AND CIRCULATORY ACTIVITY BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-12-21 — — 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-20140057900-A1 Pro-Neurogenic Compounds BDNF, NES, DCX HTR2A 792/4885SLC6A2 1310/4885SLC6A4 1538/4885
US-20190135809-A1 Pro-Neurogenic Compounds BDNF, NES, DCX HTR2A 792/4885SLC6A2 1310/4885SLC6A4 1538/4885
US-20170305906-A1 Pro-Neurogenic Compounds BDNF, NES, DCX HTR2A 792/4885SLC6A2 1310/4885SLC6A4 1538/4885

“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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