SCHEMBL8250604

SCHEMBL8250604

N[C@H](c1ccc(F)cc1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 3/20 0.45
DPP9 Q86TI2 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
DPP4 P27487 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
IDO1 P14902 3/20 0.38
DPP8 Q6V1X1 1/20 0.38
CHRM1 P11229 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
EPHX1 P07099 1/20 0.38
TDO2 P48775 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
SCHEMBL8249222 1.00 RPS6KB1 (0.45) RPS6KB1DPP9NPC1RAB9ADPP4
SCHEMBL12052187 1.00 RPS6KB1 (0.45) RPS6KB1DPP9NPC1RAB9ADPP4
SCHEMBL1396044 0.98 RPS6KB1 (0.46) RPS6KB1DPP9NPC1RAB9ADPP4
SCHEMBL8249942 0.98 RPS6KB1 (0.46) RPS6KB1DPP9NPC1RAB9ADPP4
SCHEMBL12052190 0.98 RPS6KB1 (0.46) RPS6KB1DPP9NPC1RAB9ADPP4
Hydrochloric Acid SCHEMBL13822584 0.96 RPS6KB1 (0.45) RPS6KB1DPP9DPP4OPRM1OPRD1
SCHEMBL2675725 0.94 RPS6KB1 (0.46) RPS6KB1OPRM1OPRD1OPRK1OPRL1
SCHEMBL12052181 0.94 RPS6KB1 (0.46) RPS6KB1OPRM1OPRD1OPRK1OPRL1
SCHEMBL2790915 0.94 RPS6KB1 (0.46) RPS6KB1OPRM1OPRD1OPRK1OPRL1
SCHEMBL2675532 0.90 RPS6KB1 (0.48) RPS6KB1OPRM1OPRD1OPRK1OPRL1

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
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 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 (2 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 RPS6KB1 4435/4885DPP9 4/4885NPC1 1571/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 RPS6KB1 4435/4885DPP9 4/4885NPC1 1571/4885

“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.