SCHEMBL3726273

SCHEMBL3726273

Cc1nc(-c2ccc(F)cc2)c(C2CCN(CCCC(=O)c3ccc(F)cc3)C2)s1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.79
DRD4 P21917 1/20 0.79
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CHRM2 P08172 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
DRD1 P21728 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54
KCNH2 Q12809 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
DRD2 P14416 3/20 0.53
TSHR P16473 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL13041313 0.97 DRD4 (0.75) HTR2ADRD4MEN1KMT2ACHRM2
SCHEMBL6907364 0.89 HTR2A (1.00) HTR2ADRD4MEN1KMT2ACHRM2
SCHEMBL7516300 0.89 HTR2A (1.00) HTR2ADRD4MEN1KMT2ACHRM2
Hydrochloric Acid SCHEMBL8552262 0.88 HTR2A (0.98) HTR2ADRD4MEN1KMT2ACHRM2
Bromide SCHEMBL8553366 0.84 HTR2A (0.91) HTR2ADRD4MEN1KMT2ACHRM2
SCHEMBL8552863 0.84 HTR2A (0.87) HTR2ADRD4MEN1KMT2ACHRM2
SCHEMBL3730571 0.77 DRD4 (0.48) HTR2ADRD4KCNH2
SCHEMBL3740900 0.77 DRD4 (0.49) HTR2ADRD4TSHR
SCHEMBL15849937 0.76 ALDH1A1 (0.47) HTR2ADRD4MEN1KMT2ATSHR
SCHEMBL13041314 0.75 DRD4 (0.47) HTR2ADRD4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280073-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES AMGEN INC. (US) 2010-11-04 US claimed
US-8765788-B2 Tricyclic inhibitors of hydroxysteroid dehydrogenases AMGEN INC. (US) 2014-07-01 US disclosed
US-20100280073-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES AMGEN INC. (US) 2010-11-04 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-20100280073-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES HSD11B1, HSD3B1, HSD17B1 HTR2A 1578/4885DRD4 2295/4885MEN1 1938/4885

“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.