SCHEMBL1473027

SCHEMBL1473027

C=C(C#N)N1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
F2 P00734 1/20 0.35
MGLL Q99685 2/20 0.33
PIN1 Q13526 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
PHGDH O43175 1/20 0.33
ALDH2 P05091 1/20 0.33
FBP1 P09467 1/20 0.33
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL9145349 0.97
SCHEMBL9854837 0.75 CA12 (0.39) ALDH1A1CA1CA2CA12CA9
SCHEMBL11178030 0.73 GPR119 (0.48)
SCHEMBL18343480 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1HPGDHIF1A
SCHEMBL1387901 0.70
SCHEMBL18405321 0.70 HPGD (0.35) ALDH1A1CA1CA2CA12CA9
SCHEMBL23317431 0.69 HRH3 (0.36) ALDH1A1F2MGLLCTSBCTSS
SCHEMBL10664302 0.67 ALDH1A1 (0.45) ALDH1A1CA1CA2CA12CA9
SCHEMBL10662365 0.67 ALDH1A1 (0.45) ALDH1A1CA1CA2CA12CA9
SCHEMBL15494495 0.67 ALDH1A1 (0.35) ALDH1A1CA1CA2CA12CA9

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
EP-1513832-B1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL MYERS SQUIBB CO (US) 2014-03-05 EP disclosed
US-7915283-B2 e.g. 1-[4-(1-Phenyl-1-(pyrazinyl)-methylene)-piperidin-1-yl]-2-(4-methoxy-7-pyrazinyl-6-azaindol-3-yl)-ethane-1,2-dione; viricides for prophylaxis of lympadenopathy associated virus; synergystic mixtures with immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
EP-1513832-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES Bristol-Myers Squibb Company (US) 2005-03-16 EP disclosed
WO-2004043337-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-4981990-A FUNGICIDES CIBA-GEIGY CORPORATION (US) 1991-01-01 US disclosed
US-4812580-A FROM A PHENACYLAMINE AND ACRYLONITRILE DERIVATIVE, CYCLIZATION, FUNGICIDES CIBA-GEIGY CORPORATION (US) 1989-03-14 US disclosed
US-4709053-A FUNGICIDES CIBA-GEIGY CORPORATION (US) 1987-11-24 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-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT ALDH1A1 674/4885CA1 4833/4885CA2 4649/4885

“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.