SCHEMBL3316196

SCHEMBL3316196

CCCCN1CCC(C2CCN(C(=O)O)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 10/20 0.53
GNAO1 P09471 10/20 0.53
GNAI1 P63096 10/20 0.53
KCNH2 Q12809 1/20 0.44
EPHX1 P07099 2/20 0.42
EPHX2 P34913 2/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRM3 P20309 2/20 0.39

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
SCHEMBL4240682 0.85 CHRM3 (0.44) GNAI3GNAO1GNAI1KCNH2EPHX1
SCHEMBL1048005 0.83 GPR183 (0.47) GNAI3GNAO1GNAI1KCNH2KDM4E
SCHEMBL4474282 0.82 SMN1; SMN2 (0.50) GNAI3GNAO1GNAI1KDM4E
SCHEMBL17212830 0.77 GNAO1 (0.63) GNAI3GNAO1GNAI1
SCHEMBL1936310 0.77 HSD11B1 (0.37) GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL29086855 0.77 GNAI3 (0.53) GNAI3GNAO1GNAI1KCNH2CHRM3
SCHEMBL6944812 0.77 KCNH2 (0.55) GNAI3GNAO1GNAI1KCNH2EPHX1
SCHEMBL2527190 0.76 S1PR1 (0.46) ALDH1A1CHRM3
Acetic Acid SCHEMBL4538190 0.75 POLB (0.49) GNAI3GNAO1GNAI1KCNH2
SCHEMBL8309136 0.74 HSD11B1 (0.36) GNAI3GNAO1GNAI1EPHX2ALDH1A1

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 GNAI3 472/4885GNAO1 290/4885GNAI1 451/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA GNAI3 472/4885GNAO1 290/4885GNAI1 451/4885

“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.