SCHEMBL2177032

SCHEMBL2177032

CC(C)C(c1ccccc1)N1CC[C@H](N)[C@@H](O)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.43
CYP2D6 P10635 5/20 0.38
CYP3A4 P08684 5/20 0.38
CYP2C19 P33261 5/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2C9 P11712 4/20 0.38
KCNA5 P22460 4/20 0.38
KCNH2 Q12809 4/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNA3 P22001 1/20 0.36
DPP7 Q9UHL4 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
MAN2A1 Q16706 1/20 0.35
MAN1B1 Q9UKM7 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL2177042 1.00 DPP4 (0.43) DPP4CYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL2177036 1.00 DPP4 (0.43) DPP4CYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL2179654 0.85 CYP2D6 (0.51) DPP4CYP2D6ALDH1A1KMT2A
SCHEMBL2179651 0.85 CYP2D6 (0.51) DPP4CYP2D6ALDH1A1KMT2A
SCHEMBL2179644 0.85 CYP2D6 (0.51) DPP4CYP2D6ALDH1A1KMT2A
SCHEMBL2180514 0.79 DPP4 (0.48) DPP4KCNA3
SCHEMBL2180510 0.79 DPP4 (0.48) DPP4KCNA3
SCHEMBL2180519 0.79 DPP4 (0.48) DPP4KCNA3
SCHEMBL2179872 0.78 OPRM1 (0.50) DPP4TSHRKCNA3
SCHEMBL2179875 0.78 OPRM1 (0.50) DPP4TSHRKCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351738-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO)PIPERIDIN-3-OL Sumitomo Chemical Company, Limited (JP) 2011-08-03 EP disclosed
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-14 US disclosed
US-20110166357-A1 METHOD FOR PRODUCING N-SUBSTITUTED-TRANS-4-AZIDOPIPERIDINE-3-OL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 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 (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-20110166357-A1 METHOD FOR PRODUCING N-SUBSTITUTED-TRANS-4-AZIDOPIPERIDINE-3-OL RPS27L, OSGEP, RPLP1 DPP4 4436/4885CYP2D6 192/4885CYP3A4 330/4885
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL TEAD4, TEAD3, TEAD2 DPP4 2071/4885CYP2D6 246/4885CYP3A4 27/4885

“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.