Sugi Predict

Sugi Predict / Compounds / SCHEMBL6169570

SCHEMBL6169570

SCHEMBL6169570

C1=CCC(c2ccccn2)NC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.51
▸ CHRNA7 P36544 2/20 0.51
▸ CHRNA4 P43681 2/20 0.51
▸ CYP2A6 P11509 1/20 0.51
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ BLM P54132 1/20 0.35

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
SCHEMBL3681292 0.77 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4CYP2A6
SCHEMBL11562353 0.73 CHRNB2 (0.46) CHRNB2CHRNA4DDB1CRBNALDH1A1
SCHEMBL13889929 0.72 KDM4E (0.44) DDB1CRBNALDH1A1MAPTNPC1
SCHEMBL8199299 0.72 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4CYP2A6
SCHEMBL1889514 0.71 CHRNB2 (0.65) CHRNB2CHRNA7CHRNA4CYP2A6NPC1
SCHEMBL3332664 0.69 CTH (0.38) DDB1CRBNALDH1A1MAPTNPC1
SCHEMBL29810991 0.69 CTH (0.38) DDB1CRBNALDH1A1MAPTNPC1
SCHEMBL20707 0.69 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4CYP2A6DDB1
SCHEMBL3926825 0.69 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4CYP2A6DDB1
SCHEMBL30824585 0.69 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4CYP2A6DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966440-B1 METHOD OF PRODUCTION AND METHOD OF SEPARATION OF 2,4'-DIPYRIDYL DERIVATIVES AND METHODS OF PRODUCTION OF BENZOXAZEPINE DERIVATIVES AND SALTS THEREOF DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-11-09 — — EP disclosed
US-6624308-B2 Cross coupling of 2-halopyridine and 4-halopyridine using nickel complex catalyst DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-09-23 — — US disclosed
US-20030125547-A1 Method of production and method of separation of 2,4'-dipyridyl derivatives and methods of production of benzoxazepine derivatives and salts thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2003-07-03 — — US disclosed
US-6096884-A CROSS COUPLING REACTION OF A 2-HALOPYRIDINE DERIVATIVE AND A 4-HALOPYRIDINE USING A NICKEL COMPLEX CATALYST SUNTORY LIMITED (JP) 2000-08-01 — — 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 (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-20030125547-A1 Method of production and method of separation of 2,4'-dipyridyl derivatives and methods of production of benzoxazepine derivatives and salts thereof WIZ, HELZ, HPD CHRNB2 2815/4885CHRNA7 3691/4885CHRNA4 1676/4885

“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.