SCHEMBL3314330

SCHEMBL3314330

Nc1c(Cl)cc(CC(OCc2ccccc2)C(=O)N2C(=O)OCC2Cc2ccccc2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
RAMP1 O60894 1/20 0.35
CALCRL Q16602 1/20 0.35
AR P10275 2/20 0.35
HDAC1 Q13547 3/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
ADRB2 P07550 1/20 0.33
OPRK1 P41145 1/20 0.33
MGLL Q99685 1/20 0.32
P2RX7 Q99572 3/20 0.32
TACR1 P25103 1/20 0.31

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
SCHEMBL3314325 1.00 PPARA (0.38) PPARAPPARGRAMP1CALCRLAR
SCHEMBL4459964 0.85 RAMP1 (0.42) PPARAPPARGRAMP1CALCRLAR
SCHEMBL27619084 0.85 RAMP1 (0.42) PPARAPPARGRAMP1CALCRLAR
SCHEMBL4459960 0.85 RAMP1 (0.42) PPARAPPARGRAMP1CALCRLAR
SCHEMBL3314145 0.82 RAMP1 (0.40) PPARAPPARGRAMP1CALCRLAR
SCHEMBL3309774 0.82 NAAA (0.40) PPARAARHDAC1GAAMAPT
SCHEMBL3309780 0.82 NAAA (0.40) PPARAARHDAC1GAAMAPT
SCHEMBL15660660 0.82 PPARA (0.43) PPARAPPARGHDAC1MAPTKMT2A
SCHEMBL3315670 0.79 PPARG (0.54) PPARAPPARGKMT2AADRB2
SCHEMBL3315674 0.79 PPARG (0.54) PPARAPPARGKMT2AADRB2

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
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US disclosed
US-7595312-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-09-29 US disclosed
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-04-13 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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA PPARA 3132/4885PPARG 2421/4885RAMP1 84/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA PPARA 3132/4885PPARG 2421/4885RAMP1 84/4885

“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.