SCHEMBL3703522

SCHEMBL3703522

CN1CCN(CCC(=O)Nc2ccc(NC(=O)N3CCc4ccccc4C3)cc2)CC1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.87
RAB9A P51151 10/20 0.65
NPC1 O15118 9/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
ALDH1A1 P00352 1/20 0.65
TAS1R3 Q7RTX0 1/20 0.65
TAS1R1 Q7RTX1 1/20 0.65
TAS1R2 Q8TE23 1/20 0.65
ATM Q13315 1/20 0.64
USP2 O75604 1/20 0.64
TAAR1 Q96RJ0 1/20 0.64
KDM4E B2RXH2 1/20 0.63
ALOX15 P16050 1/20 0.63
TP53 P04637 2/20 0.63
MAPK1 P28482 1/20 0.62
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

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
SCHEMBL3705117 0.93 NAMPT (1.00) NAMPTALDH1A1TP53
SCHEMBL3707385 0.91 NAMPT (0.71) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3701914 0.89 NAMPT (0.69) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3699815 0.83 RAB9A (0.66) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3698236 0.83 NAMPT (0.84) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3701097 0.83 RAB9A (0.66) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3709189 0.82 NAMPT (0.84) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3699340 0.81 NAMPT (0.84) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3704298 0.80 RAB9A (0.69) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3693902 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 1/4885RAB9A 2177/4885NPC1 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.