SCHEMBL3314129

SCHEMBL3314129

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

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 3/20 0.66
RAMP1 O60894 1/20 0.66
SMYD3 Q9H7B4 4/20 0.36
ADRB2 P07550 2/20 0.35
SLC6A5 Q9Y345 1/20 0.35
CHRM1 P11229 2/20 0.34
USP5 P45974 1/20 0.34
CCR3 P51677 1/20 0.33
HSD11B1 P28845 1/20 0.33
CALCA P06881 1/20 0.33
ACHE P22303 1/20 0.33
EPHX2 P34913 1/20 0.33
CHRM4 P08173 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3314116 1.00 CALCRL (0.66) CALCRLRAMP1SMYD3ADRB2SLC6A5
SCHEMBL4717116 0.89 RAMP1 (0.62) CALCRLRAMP1SMYD3ADRB2SLC6A5
SCHEMBL3314758 0.87 RAMP1 (0.59) CALCRLRAMP1ADRB2SLC6A5CHRM1
SCHEMBL5248991 0.87 RAMP1 (0.59) CALCRLRAMP1SMYD3ADRB2SLC6A5
SCHEMBL3314750 0.87 RAMP1 (0.59) CALCRLRAMP1ADRB2SLC6A5CHRM1
SCHEMBL3312081 0.86 RAMP1 (0.60) CALCRLRAMP1SMYD3ADRB2SLC6A5
SCHEMBL3312077 0.86 RAMP1 (0.60) CALCRLRAMP1SMYD3ADRB2SLC6A5
SCHEMBL4472276 0.83 RAMP1 (0.56) CALCRLRAMP1ADRB2SLC6A5USP5
SCHEMBL4472279 0.82 RAMP1 (0.55) CALCRLRAMP1ADRB2SLC6A5USP5
SCHEMBL4472287 0.82 RAMP1 (0.55) CALCRLRAMP1ADRB2SLC6A5USP5

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 4 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
CN-1708493-A Selected CGRP antagonists, method for production and use thereof as medicament BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-14 CN 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 CALCRL 1/4885RAMP1 84/4885SMYD3 4393/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 84/4885SMYD3 4393/4885

“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.