Sugi Predict

Sugi Predict / Compounds / SCHEMBL3309780

SCHEMBL3309780

SCHEMBL3309780

Nc1c(Cl)cc(CCC(=O)N2C(=O)OCC2Cc2ccccc2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.40
▸ AR P10275 2/20 0.38
▸ HDAC1 Q13547 3/20 0.37
▸ PPARA Q07869 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CSNK2B P67870 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ P2RX7 Q99572 2/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34

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
SCHEMBL3309774 1.00 NAAA (0.40) NAAAARHDAC1PPARASMN1; SMN2
SCHEMBL3314325 0.82 PPARA (0.38) ARHDAC1PPARASMN1; SMN2GAA
SCHEMBL3314330 0.82 PPARA (0.38) ARHDAC1PPARASMN1; SMN2GAA
SCHEMBL4459960 0.82 RAMP1 (0.42) ARHDAC1PPARASMN1; SMN2GAA
SCHEMBL4459964 0.82 RAMP1 (0.42) ARHDAC1PPARASMN1; SMN2GAA
SCHEMBL27619084 0.82 RAMP1 (0.42) ARHDAC1PPARASMN1; SMN2GAA
SCHEMBL3314106 0.80 LMNA (0.38) ARHDAC1SMN1; SMN2GAAMAPT
SCHEMBL3314101 0.80 LMNA (0.38) ARHDAC1SMN1; SMN2GAAMAPT
SCHEMBL3314113 0.80 LMNA (0.38) ARHDAC1SMN1; SMN2GAAMAPT
SCHEMBL345276 0.80 NAAA (0.57) NAAAPPARANPC1

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 NAAA 1410/4885AR 1272/4885HDAC1 3253/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA NAAA 1410/4885AR 1272/4885HDAC1 3253/4885

“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.