SCHEMBL7594697

SCHEMBL7594697

O=C(CCc1cccnc1)NC(Cc1cccnc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.53
NAMPT P43490 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
C3AR1 Q16581 5/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
ACE P12821 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL7598387 0.82 CHRM1 (0.52) CHRM1CYP3A4FNTAFNTB
SCHEMBL7594737 0.81 GFER (0.54) CHRM1CYP1A2CYP2C19
SCHEMBL4778905 0.79 CHRM1 (0.60) CHRM1NAMPTCYP3A4FNTAFNTB
SCHEMBL3458346 0.77 DRD2 (0.54)
SCHEMBL2495367 0.77 CYP1A2 (0.58) NAMPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8086170 0.77 CYP1A2 (0.58) NAMPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL83847 0.76 LMNA (0.51) CYP1A2CYP3A4CYP2C9CYP2C19C3AR1
SCHEMBL7595694 0.75 AVPR1B (0.48) CHRM1NAMPTPOLB
SCHEMBL31350736 0.74 FNTA (0.76) CHRM1CYP3A4FNTAFNTB
SCHEMBL83930 0.74 LMNA (0.49) CYP1A2CYP3A4CYP2C9CYP2C19C3AR1

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-20020119979-A1 Acyclic compounds and methods for treating multidrug resistance PROCTER & GAMBLE COMPANY, THE 2002-08-29 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-20020119979-A1 Acyclic compounds and methods for treating multidrug resistance ABCC1, ABCB1, ABCB11 CHRM1 3787/4885NAMPT 659/4885CYP1A2 379/4885

“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.