SCHEMBL2178968

SCHEMBL2178968

CC(C)C(c1ccccc1)N1CCC2OC2C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.40
CYP3A4 P08684 5/20 0.40
CYP2C19 P33261 5/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2C9 P11712 4/20 0.40
KCNA5 P22460 4/20 0.40
KCNH2 Q12809 4/20 0.40
KCNE1 P15382 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MC4R P32245 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DPP4 P27487 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL2177322 0.84 CYP2D6 (0.55) CYP2D6CHRNB4CHRNA3ALDH1A1MC4R
SCHEMBL2177641 0.81 L3MBTL3 (0.50) CYP2D6KCNH2MEN1KMT2AALDH1A1
SCHEMBL2180052 0.78 OPRM1 (0.46) CYP2D6CYP3A4CYP2C19CYP1A2TSHR
SCHEMBL2177597 0.77 OPRM1 (0.49) TSHRMC4RDPP4
SCHEMBL7239446 0.75 CYP2D6 (0.59) CYP2D6KMT2AALDH1A1MC4R
SCHEMBL7234096 0.75 CYP2D6 (0.59) CYP2D6KMT2AALDH1A1MC4R
SCHEMBL7239440 0.75 CYP2D6 (0.59) CYP2D6KMT2AALDH1A1MC4R
SCHEMBL11478237 0.75 CYP2D6 (0.59) CYP2D6KMT2AALDH1A1MC4R
SCHEMBL7234103 0.75 CYP2D6 (0.59) CYP2D6KMT2AALDH1A1MC4R
SCHEMBL2177036 0.74 DPP4 (0.43) CYP2D6CYP3A4CYP2C19CYP1A2CYP2C9

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 CYP2D6 192/4885CYP3A4 330/4885CYP2C19 104/4885
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL TEAD4, TEAD3, TEAD2 CYP2D6 246/4885CYP3A4 27/4885CYP2C19 35/4885

“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.