SCHEMBL3311629

SCHEMBL3311629

CCCCOC(=O)N1CCC(C2CCN(C(=O)C(F)(F)F)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
P2RY12 Q9H244 4/20 0.42
GAA P10253 1/20 0.40
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL3311928 0.84 LMNA (0.49) LMNAPOLBSMN1; SMN2GAAGNAI3
SCHEMBL31540794 0.80 GNAI3 (0.58) LMNAPOLBSMN1; SMN2P2RY12GAA
SCHEMBL7449135 0.79 POLB (0.63) LMNAPOLBSMN1; SMN2GAATHRB
SCHEMBL11974037 0.78 POLB (0.58) LMNAPOLBSMN1; SMN2GAAGNAI3
SCHEMBL16256877 0.78 LMNA (0.58) LMNAPOLBSMN1; SMN2GAAGNAI3
SCHEMBL184778 0.77 LMNA (0.61) LMNAPOLBSMN1; SMN2GAATHRB
SCHEMBL7339506 0.77 LMNA (0.61) LMNAPOLBSMN1; SMN2GAATHRB
SCHEMBL29358874 0.77 SMN1; SMN2 (0.47) LMNAPOLBSMN1; SMN2GAATHRB
SCHEMBL9405372 0.77 POLB (0.73) LMNAPOLBSMN1; SMN2GAAATM
SCHEMBL5156110 0.76 LMNA (0.59) LMNAPOLBSMN1; SMN2GAATHRB

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 LMNA 890/4885POLB 2618/4885SMN1; SMN2 4092/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA LMNA 890/4885POLB 2618/4885SMN1; SMN2 4092/4885

“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.