SCHEMBL3707385

SCHEMBL3707385

O=C(CCN1CCCCC1)Nc1ccc(NC(=O)N2CCc3ccccc3C2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.71
KDM4E B2RXH2 1/20 0.63
ALOX15 P16050 1/20 0.63
RAB9A P51151 9/20 0.63
NPC1 O15118 8/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
ALDH1A1 P00352 2/20 0.63
TP53 P04637 1/20 0.63
POLB P06746 1/20 0.63
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 3/20 0.61
TAS1R3 Q7RTX0 1/20 0.61
TAS1R1 Q7RTX1 1/20 0.61
TAS1R2 Q8TE23 1/20 0.61
MEN1 O00255 1/20 0.61
GAA P10253 1/20 0.61
ATM Q13315 1/20 0.61

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
SCHEMBL3703522 0.91 NAMPT (0.87) NAMPTKDM4EALOX15RAB9ANPC1
SCHEMBL3701914 0.89 NAMPT (0.69) NAMPTKDM4EALOX15RAB9ANPC1
SCHEMBL3705117 0.83 NAMPT (1.00) NAMPTALDH1A1TP53
SCHEMBL3699340 0.81 NAMPT (0.84) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3698236 0.81 NAMPT (0.84) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3701097 0.81 RAB9A (0.66) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3699815 0.81 RAB9A (0.66) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3693902 0.80 NAMPT (0.84) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3696422 0.80 NAMPT (0.82) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3709189 0.80 NAMPT (0.84) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640704-A1 NAMPT INHIBITORS Abbvie Inc. (US) 2013-09-25 EP claimed
WO-2012067963-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO claimed
US-20120122924-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US claimed
EP-2640704-A1 NAMPT INHIBITORS Abbvie Inc. (US) 2013-09-25 EP disclosed
WO-2012067963-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122924-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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-20120122924-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT NAMPT 1/4885KDM4E 3407/4885ALOX15 1919/4885

“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.