SCHEMBL15908345

SCHEMBL15908345

NCCC=C1c2ccccc2Cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.49
HRH1 P35367 7/20 0.49
SLC6A2 P23975 6/20 0.49
LMNA P02545 5/20 0.49
HTR2B P41595 5/20 0.49
KCNH2 Q12809 5/20 0.49
HTR2A P28223 5/20 0.49
CYP3A4 P08684 4/20 0.49
CYP1A2 P05177 4/20 0.49
CHRM2 P08172 4/20 0.49
ADRA2A P08913 4/20 0.49
CYP2D6 P10635 4/20 0.49
DRD2 P14416 4/20 0.49
ADRA2B P18089 4/20 0.49
ADRA2C P18825 4/20 0.49
CHRM3 P20309 4/20 0.49
HTR2C P28335 4/20 0.49
SLC6A4 P31645 4/20 0.49
ADRA1A P35348 4/20 0.49
DRD3 P35462 4/20 0.49

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
SCHEMBL30090143 0.89 SLC6A2 (0.62) CHRM1HRH1SLC6A2LMNAHTR2B
SCHEMBL126823 0.89 SLC6A2 (0.62) CHRM1HRH1SLC6A2LMNAHTR2B
Hydrochloric Acid SCHEMBL14698993 0.87 SLC6A2 (0.63) CHRM1HRH1SLC6A2LMNAHTR2B
SCHEMBL15908322 0.81 CYP3A4 (0.50) CHRM1HRH1SLC6A2LMNAHTR2B
SCHEMBL21172138 0.80 HTR2B (0.68) CHRM1HRH1SLC6A2LMNAHTR2B
SCHEMBL1695230 0.80 HTR2B (0.68) CHRM1HRH1SLC6A2LMNAHTR2B
SCHEMBL1806812 0.79 HRH1 (0.48) CHRM1HRH1SLC6A2LMNAHTR2B
SCHEMBL1803713 0.76 SLC6A2 (0.49) CHRM1HRH1SLC6A2LMNAHTR2B
SCHEMBL17305922 0.76 CHRM1 (0.45) CHRM1HRH1SLC6A2LMNAHTR2B
SCHEMBL11721982 0.74 LMNA (0.61) CHRM1HRH1SLC6A2LMNAHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 US disclosed
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2014-07-31 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 (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-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TFEB, FOXO3, FOXO1 CHRM1 4822/4885HRH1 2583/4885SLC6A2 4090/4885

“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.