SCHEMBL2177485

SCHEMBL2177485

c1ccc(CCN2CCC3OC3C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.57
CCR3 P51677 1/20 0.55
OPRM1 P35372 1/20 0.53
HTR2A P28223 3/20 0.52
HTR2C P28335 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
SLC6A3 Q01959 1/20 0.51
SIGMAR1 Q99720 3/20 0.50
KCNH2 Q12809 1/20 0.49

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
SCHEMBL2181082 0.91 SIGMAR1 (0.57) CCR3OPRM1HTR2ACYP1A2CYP3A4
SCHEMBL11478240 0.88 SLC6A3 (0.55) ACHECCR3OPRM1HTR2AHTR2C
SCHEMBL2180441 0.83 ACHE (0.54) ACHECCR3CYP1A2CYP3A4CYP2D6
SCHEMBL22455021 0.78 ACHE (0.65) ACHECCR3HTR2ASIGMAR1
SCHEMBL5534146 0.77 ACHE (0.60) ACHECCR3HTR2AHTR2CKDM4E
SCHEMBL7384861 0.77 SLC6A3 (0.50) ACHECCR3HTR2AHTR2CSLC6A3
SCHEMBL6423692 0.77 ACHE (0.60) ACHECCR3HTR2AHTR2CKDM4E
SCHEMBL5537485 0.77 ACHE (0.60) ACHECCR3HTR2AHTR2CKDM4E
SCHEMBL6403439 0.77 ACHE (0.60) ACHECCR3HTR2AHTR2CKDM4E
SCHEMBL7724029 0.77 LTA4H (0.61) ACHECCR3HTR2AHTR2CKDM4E

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 ACHE 2026/4885CCR3 3821/4885OPRM1 29/4885
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL TEAD4, TEAD3, TEAD2 ACHE 3409/4885CCR3 4107/4885OPRM1 134/4885

“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.