SCHEMBL1249795

SCHEMBL1249795

NCCCCc1c[nH]c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 0.77
HTR2A P28223 3/20 0.77
CYP3A4 P08684 2/20 0.77
HTR2C P28335 2/20 0.77
CYP1A2 P05177 1/20 0.77
CYP2D6 P10635 1/20 0.77
CYP2A6 P11509 1/20 0.77
NFKB1 P19838 1/20 0.77
HTR1D P28221 1/20 0.77
HTR1B P28222 1/20 0.77
HTR7 P34969 1/20 0.77
CTSK P43235 1/20 0.77
HTR6 P50406 1/20 0.77
CYP2A13 Q16696 1/20 0.77
TAAR1 Q96RJ0 1/20 0.77
PMP22 Q01453 1/20 0.74
SSTR2 P30874 1/20 0.67
SSTR4 P31391 1/20 0.67
MC1R Q01726 1/20 0.62
SLC6A4 P31645 2/20 0.61

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
SCHEMBL2378418 0.98 MPO (0.74) MPOHTR2ACYP3A4HTR2CCYP1A2
SCHEMBL5991724 0.98 MPO (0.74) MPOHTR2ACYP3A4HTR2CCYP1A2
SCHEMBL2378528 0.98 MPO (0.74) MPOHTR2ACYP3A4HTR2CCYP1A2
SCHEMBL29532652 0.95 MPO (0.79) MPOHTR2ACYP3A4HTR2CCYP1A2
SCHEMBL735189 0.95 MPO (0.79) MPOHTR2ACYP3A4HTR2CCYP1A2
Hydrochloric Acid SCHEMBL21546034 0.93 PMP22 (0.80) MPOHTR2ACYP3A4HTR2CCYP1A2
SCHEMBL7004146 0.91 HTR2A (0.71) MPOHTR2ACYP3A4HTR2CCYP1A2
SCHEMBL7889427 0.89 HTR2A (0.69) MPOHTR2ACYP3A4HTR2CCYP1A2
SCHEMBL7001306 0.89 HTR2A (0.69) MPOHTR2ACYP3A4HTR2CCYP1A2
SCHEMBL7004071 0.89 HTR2A (0.69) MPOHTR2ACYP3A4HTR2CCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1229082-A Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 1999-09-22 CN claimed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
CN-1151746-A Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1997-06-11 CN claimed
CN-109311876-A heteroaryl estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2019-02-05 CN disclosed
EP-2722333-A1 Spiro-indole derivatives for the treatment of parasitic diseases. Novartis AG (CH) 2014-04-23 EP disclosed
EP-2285808-B1 SPIRO-INDOLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2013-11-20 EP disclosed
CN-102015711-B Spiro-indole derivatives for the treatment of parasitic diseases NOVARTIS AG 2013-05-01 CN disclosed
US-8399453-B2 Organic compounds NOVARTIS AG (CH) 2013-03-19 US disclosed
US-8399453-B2 Organic compounds NOVARTIS AG (CH) 2013-03-19 US disclosed
US-8399453-B2 Organic compounds NOVARTIS AG (CH) 2013-03-19 US disclosed
US-20110275613-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-10 US disclosed
US-4824852-A Substituted indole compounds which have useful effects on the central nervous system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-25 US disclosed
US-4740602-A Indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-04-26 US disclosed
EP-0121716-B1 INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1987-12-09 EP disclosed
EP-0206225-A2 Indole derivatives MERCK PATENT GmbH (DE) 1986-12-30 EP disclosed
EP-0121716-A1 Indole derivatives MERCK PATENT GmbH (DE) 1984-10-17 EP disclosed
EP-0114603-A1 Indole derivatives MERCK PATENT GmbH (DE) 1984-08-01 EP disclosed
EP-0007399-B1 INDOLYLALKYL AMINES, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESS FOR THEIR MANUFACTURE MERCK PATENT GmbH (DE) 1982-01-20 EP disclosed
US-4251538-A Indolealkylamines and processes for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-02-17 US disclosed
EP-0007399-A1 Indolylalkyl amines, pharmaceutical preparations containing them and process for their manufacture MERCK PATENT GmbH (DE) 1980-02-06 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 (1 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-20110275613-A1 ORGANIC COMPOUNDS OTC, PC, OAT MPO 97/4885HTR2A 4625/4885CYP3A4 95/4885

“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.