SCHEMBL5336233

SCHEMBL5336233

COC[C@@H]1Cc2ccccc2N1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CREBBP Q92793 3/20 0.39
BRD4 O60885 2/20 0.39
MTNR1A P48039 4/20 0.38
AR P10275 1/20 0.36
PNMT P11086 2/20 0.36
MTNR1B P49286 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
SCHEMBL1028599 1.00 TRPM5 (0.43) TRPM5GAAMAPTCREBBPBRD4
SCHEMBL30681309 1.00 TRPM5 (0.43) TRPM5GAAMAPTCREBBPBRD4
SCHEMBL30681274 1.00 TRPM5 (0.43) TRPM5GAAMAPTCREBBPBRD4
SCHEMBL13384188 0.83 MTNR1A (0.52) TRPM5GAAMAPTCREBBPBRD4
SCHEMBL2259545 0.83 GAA (0.40) GAAMAPTCREBBPBRD4MTNR1A
SCHEMBL549073 0.79 CREBBP (0.59) GAAMAPTCREBBPBRD4MTNR1A
SCHEMBL22955423 0.79 CREBBP (0.59) GAAMAPTCREBBPBRD4MTNR1A
SCHEMBL5336646 0.79 GAA (0.44) GAAMAPT
SCHEMBL5336642 0.79 GAA (0.44) GAAMAPT
SCHEMBL30681246 0.78 GAA (0.39) GAAMAPTCREBBPBRD4MTNR1A

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-20070270587-A1 PYRIMIDOINDOLONES AND METHODS FOR USING SAME WYETH (US) 2007-11-22 US disclosed
US-20070270587-A1 PYRIMIDOINDOLONES AND METHODS FOR USING SAME WYETH (US) 2007-11-22 US disclosed
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-7256198-B2 Pyrimidoindolones and methods for using same WYETH (US) 2007-08-14 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
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
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

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 TRPM5 3915/4885GAA 788/4885MAPT 1346/4885
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 TRPM5 3576/4885GAA 566/4885MAPT 1714/4885

“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.