SCHEMBL3097486

SCHEMBL3097486

O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.51
PKM P14618 2/20 0.50
CCR2 P41597 1/20 0.50
KCNH2 Q12809 1/20 0.50
SLC6A7 Q99884 1/20 0.50
RBP4 P02753 2/20 0.48
ADRB1 P08588 1/20 0.43
MLYCD O95822 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
USP2 O75604 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL13092215 0.86 ACACB (0.49) CHRM4PKMCCR2KCNH2SLC6A7
SCHEMBL3106908 0.86 KDM4E (0.53) USP2LMNATSHRHSD17B10KMT2A
SCHEMBL7912190 0.81 CHRM4 (0.42) CHRM4PKMCCR2KCNH2SLC6A7
SCHEMBL2702717 0.79 PKM (0.54) CHRM4PKMSLC6A7RBP4ADRB1
SCHEMBL3107396 0.78 LMNA (0.58) CHRM4CHRM2LMNAKMT2AKDM4E
SCHEMBL3104185 0.78 NOTUM (0.52) PKMMLYCDCHRM2TSHRKMT2A
SCHEMBL895533 0.78 KDM4E (0.60) CHRM4PKMCCR2KCNH2SLC6A7
SCHEMBL3088865 0.76 KDM4E (0.50) SLC6A7KMT2AKDM4EMEN1L3MBTL1
SCHEMBL4765937 0.76 CCR2 (0.54) CHRM4PKMCCR2KCNH2SLC6A7
SCHEMBL971605 0.74 ADRB1 (0.57) CHRM4PKMCCR2KCNH2SLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 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 (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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 CHRM4 504/4885PKM 509/4885CCR2 1205/4885

“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.