SCHEMBL1543610

SCHEMBL1543610

O[C@H](C1CC1)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
DPP7 Q9UHL4 3/20 0.43
DPP4 P27487 2/20 0.43
DPP9 Q86TI2 2/20 0.43
DPP8 Q6V1X1 2/20 0.43
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
GRIN2B Q13224 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ACKR3 P25106 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
CCR5 P51681 1/20 0.38
SLC18A3 Q16572 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
SCHEMBL13240745 1.00 YTHDC1 (0.48) YTHDC1SLC6A2SLC6A4DPP7DPP4
SCHEMBL1543127 1.00 YTHDC1 (0.48) YTHDC1SLC6A2SLC6A4DPP7DPP4
SCHEMBL1543128 1.00 YTHDC1 (0.48) YTHDC1SLC6A2SLC6A4DPP7DPP4
SCHEMBL28722408 0.87 SLC6A2 (0.52) YTHDC1SLC6A2SLC6A4DPP7DPP4
SCHEMBL21227921 0.87 SLC6A2 (0.52) YTHDC1SLC6A2SLC6A4DPP7DPP4
SCHEMBL29696502 0.87 SLC6A2 (0.52) YTHDC1SLC6A2SLC6A4DPP7DPP4
SCHEMBL28724595 0.87 SLC6A2 (0.52) YTHDC1SLC6A2SLC6A4DPP7DPP4
SCHEMBL3376962 0.85 YTHDC1 (0.58) YTHDC1SLC6A2SLC6A4DPP7DPP4
SCHEMBL15689173 0.83 YTHDC1 (0.43) YTHDC1SLC6A2SLC6A4DPP7DPP4
SCHEMBL18987599 0.83 YTHDC1 (0.48) YTHDC1SLC6A2SLC6A4DPP7DPP4

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-2307377-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 YTHDC1 4862/4885SLC6A2 666/4885SLC6A4 1342/4885

“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.