SCHEMBL4804847

SCHEMBL4804847

CN(C1CC1)C1CCN(C(=O)CCc2cc(Cl)c(N)c(C(F)(F)F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.43
EPHX2 P34913 1/20 0.41
RAMP1 O60894 1/20 0.39
CALCRL Q16602 1/20 0.39
CNR1 P21554 1/20 0.38
SLC9A1 P19634 2/20 0.38
ADRB2 P07550 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL4849670 0.82 RAMP1 (0.45) EPHX2RAMP1CALCRLCNR1KMT2A
SCHEMBL4798598 0.77 CNR1 (0.39) EPHX2RAMP1CALCRLCNR1ADRB2
SCHEMBL4720733 0.74 RAMP1 (0.44) OPRD1EPHX2RAMP1CALCRLADRB2
SCHEMBL13361289 0.67 RAMP1 (0.48) OPRD1EPHX2RAMP1CALCRLADRB2
SCHEMBL3309774 0.66 NAAA (0.40) ADRB2KMT2AGAAHPGDMAPT
SCHEMBL3309780 0.66 NAAA (0.40) ADRB2KMT2AGAAHPGDMAPT
SCHEMBL3314750 0.65 RAMP1 (0.59) EPHX2RAMP1CALCRLADRB2LMNA
SCHEMBL3314758 0.65 RAMP1 (0.59) EPHX2RAMP1CALCRLADRB2LMNA
SCHEMBL5248991 0.65 RAMP1 (0.59) OPRD1EPHX2RAMP1CALCRLADRB2
SCHEMBL4720819 0.65 RAMP1 (0.50) OPRD1RAMP1CALCRLADRB2

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-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA OPRD1 41/4885EPHX2 1485/4885RAMP1 46/4885

“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.