Sugi Predict

Sugi Predict / Compounds / SCHEMBL1669146

SCHEMBL1669146

SCHEMBL1669146

N#Cc1cccc(-c2nc3ccc(N4CCN5CCC4CC5)cc3c(=O)n2CC2(CO)CCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.35
▸ CASP1 P29466 6/20 0.34
▸ CYP1A2 P05177 5/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ CASP7 P55210 5/20 0.34
▸ TSHR P16473 3/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ USP2 O75604 5/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GLA P06280 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL6887510 0.90 CHRNA7 (0.38) CHRNA7ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL6887505 0.90 CHRNA7 (0.40) CHRNA7ALDH1A1TSHRSMN1; SMN2AVPR1B
SCHEMBL6887969 0.89 AVPR1B (0.38) CHRNA7AVPR1AAVPR1BAKT1
SCHEMBL6887358 0.89 AVPR1A (0.41) AVPR1AAVPR1B
SCHEMBL11920584 0.87 CHRNA7 (0.35) CHRNA7AVPR1AAVPR1B
SCHEMBL6886267 0.83 TLR7 (0.37) CHRNA7CASP1CYP1A2ALDH1A1CASP7
SCHEMBL6887857 0.83 CHRNA7 (0.37) CHRNA7MEN1KMT2AAVPR1BAKT1
SCHEMBL6887459 0.82 CHRNA7 (0.40) CHRNA7ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL6888283 0.82 AVPR1A (0.51) AVPR1AAVPR1B
SCHEMBL6887807 0.82 CYP1A2 (0.47) CHRNA7CASP1CYP1A2ALDH1A1CASP7

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 — — US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 — — US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 — — US disclosed
EP-2488520-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MSD Oss B.V. (NL) 2012-08-22 — — EP disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 — — US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 — — US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 — — US disclosed
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 — — WO disclosed
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 — — WO 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 (1 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-20120208796-A1 HETEROCYCLIC DERIVATIVES CHRNA5, CHRM5, CHRNA7 CHRNA7 3/4885CASP1 4465/4885CYP1A2 294/4885

“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.