SCHEMBL3314758

SCHEMBL3314758

CN1CCN(C2CCN(C(=O)C(O)Cc3cc(Cl)c(N)c(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAMP1 O60894 1/20 0.59
CALCRL Q16602 1/20 0.59
ADRB2 P07550 2/20 0.37
SLC6A5 Q9Y345 4/20 0.36
F10 P00742 1/20 0.36
HSD11B1 P28845 1/20 0.35
CCR3 P51677 2/20 0.35
CALCA P06881 1/20 0.35
EPHX2 P34913 1/20 0.35
CHRM1 P11229 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
RET P07949 1/20 0.34
ROS1 P08922 1/20 0.34
FLT3 P36888 1/20 0.34
EML4 Q9HC35 1/20 0.34

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
SCHEMBL3314750 1.00 RAMP1 (0.59) RAMP1CALCRLADRB2SLC6A5F10
SCHEMBL5248991 0.91 RAMP1 (0.59) RAMP1CALCRLADRB2SLC6A5HSD11B1
SCHEMBL3314129 0.87 CALCRL (0.66) RAMP1CALCRLADRB2SLC6A5HSD11B1
SCHEMBL3314116 0.87 CALCRL (0.66) RAMP1CALCRLADRB2SLC6A5HSD11B1
SCHEMBL4472276 0.87 RAMP1 (0.56) RAMP1CALCRLADRB2SLC6A5CALCA
SCHEMBL4472279 0.85 RAMP1 (0.55) RAMP1CALCRLADRB2SLC6A5CALCA
SCHEMBL4472287 0.85 RAMP1 (0.55) RAMP1CALCRLADRB2SLC6A5CALCA
SCHEMBL4717116 0.84 RAMP1 (0.62) RAMP1CALCRLADRB2SLC6A5HSD11B1
SCHEMBL3309816 0.83 RAMP1 (0.58) RAMP1CALCRLSLC6A5CHRM1
SCHEMBL3312084 0.83 RAMP1 (0.53) RAMP1CALCRLADRB2SLC6A5CCR3

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 RAMP1 84/4885CALCRL 1/4885ADRB2 63/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA RAMP1 84/4885CALCRL 1/4885ADRB2 63/4885

“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.