SCHEMBL6595004

SCHEMBL6595004

c1cc(C2CCNCC2)c2ccsc2c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.47
ADRB2 P07550 1/20 0.45
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
HTR1A P08908 7/20 0.42
DRD2 P14416 6/20 0.42
HTR2A P28223 6/20 0.42
HTR6 P50406 1/20 0.41

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
SCHEMBL22728628 0.83 HTR1A (0.40) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL22721129 0.81 HTR1A (0.40) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6596667 0.80 SLC6A4 (0.41) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6595007 0.80 SLC6A4 (0.41) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6595014 0.80 SLC6A4 (0.41) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6595010 0.80 SLC6A4 (0.41) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6596677 0.80 SLC6A4 (0.41) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL4676658 0.78 SLC6A4 (0.55) HTR2CADRB2SLC6A2SLC6A4SLC6A3
SCHEMBL29868908 0.78 SLC6A4 (0.55) HTR2CADRB2SLC6A2SLC6A4SLC6A3
SCHEMBL6594636 0.78 DRD2 (0.47) SLC6A2SLC6A4SLC6A3HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3115361-B1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2019-10-23 EP disclosed
US-10174011-B2 Heterocyclic compounds, process for preparation of the same and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-01-08 US disclosed
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 US disclosed
EP-3115361-A1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-01-11 EP disclosed
WO-2015131856-A1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 2015-09-11 WO disclosed
EP-1204660-B1 SEROTONERGIC BENZOTHIOPHENES LILLY CO ELI (US) 2004-10-20 EP disclosed
EP-1204660-A1 SEROTONERGIC BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009126-A1 SEROTONERGIC BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 2001-02-08 WO 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 (2 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-10174011-B2 Heterocyclic compounds, process for preparation of the same and use thereof CYP11B2, CYP11B1, ADCYAP1R1 HTR2C 333/4885ADRB2 1004/4885SLC6A2 141/4885
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF CYP11B2, CYP11B1, ADCYAP1R1 HTR2C 333/4885ADRB2 1004/4885SLC6A2 141/4885

“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.