SCHEMBL1934733

SCHEMBL1934733

NCc1ccc(CN2CCCCCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.78
ALDH1A1 P00352 4/20 0.70
HRH4 Q9H3N8 1/20 0.69
PRMT6 Q96LA8 2/20 0.69
CYP2D6 P10635 1/20 0.68
CYP2C19 P33261 1/20 0.68
NCF1 P14598 2/20 0.68
CA2 P00918 1/20 0.68
CHKA P35790 1/20 0.68
KDM4E B2RXH2 2/20 0.67
MBTD1 Q05BQ5 1/20 0.59
L3MBTL3 Q96JM7 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL109000 1.00 HRH3 (0.78) HRH3ALDH1A1HRH4PRMT6CYP2D6
Hydrochloric Acid SCHEMBL1935722 0.98 HRH3 (0.75) HRH3ALDH1A1HRH4PRMT6CYP2D6
SCHEMBL111330 0.98 HRH3 (0.74) HRH3ALDH1A1HRH4PRMT6CYP2D6
SCHEMBL1935272 0.93 PRMT6 (0.76) HRH3ALDH1A1HRH4PRMT6CYP2D6
SCHEMBL12614113 0.92 HRH3 (0.77) HRH3ALDH1A1HRH4PRMT6CYP2D6
Hydrochloric Acid SCHEMBL1935642 0.91 NCF1 (0.73) HRH3ALDH1A1HRH4PRMT6CYP2D6
Benzylamine SCHEMBL16584747 0.90 PRMT6 (0.73) HRH3ALDH1A1HRH4PRMT6CYP2D6
SCHEMBL24564964 0.89 PRMT6 (0.69) HRH3ALDH1A1HRH4PRMT6CYP2D6
SCHEMBL4277270 0.89 HRH3 (1.00) HRH3ALDH1A1HRH4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL7468055 0.86 HRH3 (0.95) HRH3ALDH1A1HRH4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114075180-B Immunomodulatory compounds and anti-tumor applications thereof 上海科技大学 2024-04-05 CN disclosed
US-20230303539-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-09-28 US disclosed
EP-4198030-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF Shanghaitech University (CN) 2023-06-21 EP disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 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 (4 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-20230303539-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF TNF, NFATC1, IL2 HRH3 3768/4885ALDH1A1 702/4885HRH4 3600/4885
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 HRH3 11/4885ALDH1A1 3283/4885HRH4 12/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A HRH3 394/4885ALDH1A1 397/4885HRH4 201/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 HRH3 11/4885ALDH1A1 3363/4885HRH4 10/4885

“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.