SCHEMBL5346809

SCHEMBL5346809

N#CC1(CCl)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
P2RX7 Q99572 1/20 0.30

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
SCHEMBL5347834 1.00 ALDH1A1 (0.40) ALDH1A1P2RX7
SCHEMBL5336977 0.97
SCHEMBL5335340 0.92
SCHEMBL2154404 0.78 ALDH1A1 (0.43) ALDH1A1
SCHEMBL2154595 0.78 ALDH1A1 (0.43) ALDH1A1
SCHEMBL3840377 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11299703 0.74 ALDH1A1 (0.40) ALDH1A1
SCHEMBL10616514 0.74 ALDH1A1 (0.40) ALDH1A1
SCHEMBL2069655 0.74 ALDH1A1 (0.40) ALDH1A1
SCHEMBL3495531 0.74 ALDH1A1 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4760158-A Cyclic halonitriles JOHN WYETH & BROTHER LIMITED (GB) 1988-07-26 US claimed
US-20070270587-A1 PYRIMIDOINDOLONES AND METHODS FOR USING SAME WYETH (US) 2007-11-22 US disclosed
US-7256198-B2 Pyrimidoindolones and methods for using same WYETH (US) 2007-08-14 US disclosed
US-20050250798-A1 E.g., 8-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one; caspase inhibitors used to treat diseases including arthritis, myocardial infarction or stroke WYETH (US) 2005-11-10 US disclosed
EP-0240176-B1 SUBSTITUTED PYRIMIDOINDOLES JOHN WYETH & BROTHER LIMITED (GB) 1990-11-22 EP disclosed
US-4803207-A Hypoglycemic 2',3',10'-tetrahydro-10'-hydroxy-10'-substituted-spiro[cycloakane-1,3'-pyrimido(1,2-a)indole]deratives JOHN WYETH & BROTHER LTD. (GB) 1989-02-07 US disclosed
US-4760158-A Cyclic halonitriles JOHN WYETH & BROTHER LIMITED (GB) 1988-07-26 US disclosed
EP-0240176-A1 Substituted pyrimidoindoles JOHN WYETH & BROTHER LIMITED (GB) 1987-10-07 EP 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-20070270587-A1 PYRIMIDOINDOLONES AND METHODS FOR USING SAME TYMP, DPYD, TYMS ALDH1A1 905/4885P2RX7 86/4885
US-20050250798-A1 E.g., 8-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one; caspase inhibitors used to treat diseases including arthritis, myocardial infarction or stroke CASP1, API5, CASP8 ALDH1A1 633/4885P2RX7 535/4885

“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.