SCHEMBL15908331

SCHEMBL15908331

c1ccc2c(c1)CCc1ccccc1C21CCCO1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.42
HTR7 P34969 2/20 0.41
HTR2B P41595 2/20 0.41
HTR2A P28223 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
MAOB P27338 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
AVPR1A P37288 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37

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
SCHEMBL15908327 0.94 KDM1A (0.45) KDM1AHTR7HTR2BHTR2AHCAR2
SCHEMBL11772061 0.77 HTR2A (0.42) KDM1AHTR2AHCAR2MAOBSIGMAR1
SCHEMBL5724727 0.77 HDAC4 (0.41) HTR7HTR2B
SCHEMBL17014522 0.76 SIGMAR1 (0.50) KDM1ASIGMAR1AVPR1ATMEM97
SCHEMBL31683810 0.74 AVPR1A (0.49) KDM1AHTR2AHCAR2MAOBAVPR1A
SCHEMBL10453624 0.74 SLC6A3 (0.46) HTR7HTR2B
SCHEMBL1195856 0.74 HTR7 (0.36) KDM1AHTR7HTR2BSIGMAR1
SCHEMBL14706993 0.72 MAPK1 (0.40) KDM1AHCAR2MAOBSIGMAR1TMEM97
SCHEMBL1569110 0.71 DPP4 (0.38) HTR7HTR2BMAOB
SCHEMBL15908336 0.70 MAPK1 (0.42) KDM1AHTR2AHCAR2MAOBSIGMAR1

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 KDM1A 2457/4885HTR7 1947/4885HTR2B 1703/4885

“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.