SCHEMBL6800726

SCHEMBL6800726

O=C(NCN1C=CC=CC1C1=CCNCC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CCR2 P41597 3/20 0.39
NAMPT P43490 1/20 0.39
TP53 P04637 1/20 0.38
TP53BP1 Q12888 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL6800731 0.71 HTR2C (0.46) POLBCHRM3ALDH1A1CCR2NAMPT
SCHEMBL3447475 0.70 P2RX1 (0.54) POLBALDH1A1HTR2C
SCHEMBL6798519 0.66 LMNA (0.44) POLBALDH1A1TP53
SCHEMBL25936926 0.66 POLB (0.59) POLBCHRM3ALDH1A1CCR2TP53
SCHEMBL11712708 0.66 HDAC6 (0.56) POLBCHRM3ALDH1A1CCR2TP53
Hydrochloric Acid SCHEMBL11715522 0.65 HDAC6 (0.55) POLBCHRM3ALDH1A1CCR2TP53
SCHEMBL5513102 0.64 POLB (0.56) POLBCHRM3ALDH1A1CCR2NAMPT
SCHEMBL15054310 0.64 SMYD3 (0.54) POLBCHRM3ALDH1A1CCR2NAMPT
SCHEMBL2679794 0.63 LMNA (0.61) POLBALDH1A1TP53TP53BP1
SCHEMBL4742356 0.63 POLB (0.62) POLBCHRM3ALDH1A1CCR2NAMPT

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 POLB 3627/4885CHRM3 657/4885ALDH1A1 88/4885

“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.