SCHEMBL6800731

SCHEMBL6800731

O=C(NCN1CC=CC=C1C1=CCNCC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.46
POLB P06746 2/20 0.41
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
TP53BP1 Q12888 1/20 0.38
CASP1 P29466 1/20 0.38
CASP8 Q14790 1/20 0.38
CCR2 P41597 1/20 0.37
SOS1 Q07889 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
SCHEMBL6799151 0.78 TDP1 (0.39) HTR2CPOLBALDH1A1MEN1KMT2A
SCHEMBL7097274 0.74 ALDH1A1 (0.49) POLBALDH1A1MEN1KMT2A
SCHEMBL6246218 0.71 POLB (0.41) POLBCHRM3ALDH1A1NAMPTTP53
SCHEMBL6800726 0.71 POLB (0.41) HTR2CPOLBCHRM3ALDH1A1NAMPT
SCHEMBL3447475 0.70 P2RX1 (0.54) HTR2CPOLBALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL11715522 0.67 HDAC6 (0.55) POLBCHRM3ALDH1A1TP53TP53BP1
SCHEMBL25936926 0.66 POLB (0.59) POLBCHRM3ALDH1A1TP53TP53BP1
SCHEMBL11712708 0.66 HDAC6 (0.56) POLBCHRM3ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL8905717 0.65 HTR2C (1.00) HTR2CSOS1
Hydrochloric Acid SCHEMBL1975639 0.65 HTR2C (1.00) HTR2CSOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US claimed

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-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 HTR2C 1351/4885POLB 3627/4885CHRM3 657/4885

“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.