SCHEMBL3312084

SCHEMBL3312084

CCCC[C@H](C(=O)O)C(Cc1cc(Cl)c(N)c(C(F)(F)F)c1)C(=O)N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAMP1 O60894 1/20 0.53
CALCRL Q16602 1/20 0.53
ADRB2 P07550 3/20 0.33
SLC6A5 Q9Y345 5/20 0.32
EPHX2 P34913 2/20 0.32
RET P07949 2/20 0.32
ROS1 P08922 2/20 0.32
FLT3 P36888 2/20 0.32
EML4 Q9HC35 1/20 0.32
ALK Q9UM73 1/20 0.32
CHRM1 P11229 2/20 0.32
PROKR1 Q8TCW9 1/20 0.32
CCR10 P46092 1/20 0.32
CALCA P06881 1/20 0.31
DYRK1A Q13627 1/20 0.31
CCR3 P51677 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
SCHEMBL5248991 0.83 RAMP1 (0.59) RAMP1CALCRLADRB2SLC6A5EPHX2
SCHEMBL3314750 0.83 RAMP1 (0.59) RAMP1CALCRLADRB2SLC6A5EPHX2
SCHEMBL3314758 0.83 RAMP1 (0.59) RAMP1CALCRLADRB2SLC6A5EPHX2
SCHEMBL3314129 0.82 CALCRL (0.66) RAMP1CALCRLADRB2SLC6A5EPHX2
SCHEMBL3314116 0.82 CALCRL (0.66) RAMP1CALCRLADRB2SLC6A5EPHX2
SCHEMBL3312077 0.81 RAMP1 (0.60) RAMP1CALCRLADRB2SLC6A5EPHX2
SCHEMBL3312081 0.81 RAMP1 (0.60) RAMP1CALCRLADRB2SLC6A5EPHX2
SCHEMBL4472276 0.79 RAMP1 (0.56) RAMP1CALCRLADRB2SLC6A5RET
SCHEMBL4472279 0.78 RAMP1 (0.55) RAMP1CALCRLADRB2SLC6A5RET
SCHEMBL4472287 0.78 RAMP1 (0.55) RAMP1CALCRLADRB2SLC6A5RET

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 1 patent. 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

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-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

“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.