SCHEMBL12175441

SCHEMBL12175441

Clc1ccc2c(c1NCc1ccc(CNC3CCCCC3)cn1)CCNCC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.43
POLB P06746 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
HTR2B P41595 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
PARP1 P09874 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
ACHE P22303 2/20 0.34
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC1 Q13547 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL2586521 0.88 POLB (0.46) CXCR4POLBHRH3HTR2BHTR2A
SCHEMBL14595593 0.87 CXCR4 (0.42) CXCR4POLBHRH3PARP1KDM4E
SCHEMBL10230538 0.86 HTR2B (0.35) CXCR4HTR2BHTR2AHTR2C
SCHEMBL10230133 0.85 HTR2B (0.36) CXCR4HTR2BHTR2AHTR2C
SCHEMBL15590066 0.85 HTR2B (0.34) CXCR4HTR2BHTR2AHTR2C
SCHEMBL2580441 0.85 HTR2B (0.34) CXCR4HTR2BHTR2AHTR2C
SCHEMBL15589894 0.84 HTR2B (0.35) CXCR4HTR2BHTR2AHTR2C
SCHEMBL2575775 0.84 HTR2B (0.35) CXCR4HTR2BHTR2AHTR2C
SCHEMBL10230543 0.84 HTR2B (0.35) CXCR4HTR2BHTR2AHTR2C
SCHEMBL10229952 0.83 CCNT1 (0.38) HTR2BHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2011-11-03 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

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-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR1A, HTR2A CXCR4 1375/4885POLB 4620/4885HRH3 394/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A CXCR4 1375/4885POLB 4620/4885HRH3 394/4885

“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.