Sugi Predict

Sugi Predict / Compounds / SCHEMBL3306747

SCHEMBL3306747

SCHEMBL3306747

CCCCOC(=O)N1CCC(n2cc(C)nc2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ CHRM1 P11229 2/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ GAA P10253 4/20 0.41
▸ KDM5C P41229 1/20 0.40
▸ KDM2A Q9Y2K7 1/20 0.40
▸ KDM3A Q9Y4C1 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MMP13 P45452 2/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL3306146 0.81 LMNA (0.45) LMNASMN1; SMN2POLBCHRM1CHRM2
SCHEMBL30066280 0.75 KDM5A (0.44) LMNASMN1; SMN2POLBCHRM1CHRM2
SCHEMBL30496024 0.75 OGA (0.48) LMNASMN1; SMN2POLBCHRM1CHRM2
SCHEMBL31386252 0.75 SMN1; SMN2 (0.40) LMNASMN1; SMN2POLBCHRM1CHRM2
SCHEMBL8685880 0.74 DRD2 (0.56) LMNASMN1; SMN2POLBCHRM1CHRM2
SCHEMBL29742104 0.73 SMN1; SMN2 (0.44) LMNASMN1; SMN2POLBCHRM1CHRM2
SCHEMBL7449135 0.73 POLB (0.63) LMNASMN1; SMN2POLBCHRM1CHRM2
SCHEMBL8482742 0.73 KDM5C (0.56) LMNASMN1; SMN2POLBCHRM1CHRM2
SCHEMBL30205961 0.72 LMNA (0.43) LMNASMN1; SMN2POLBCHRM1CHRM2
SCHEMBL31386089 0.72 PTGDR2 (0.42) LMNASMN1; SMN2POLBCHRM1CHRM2

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

“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.