SCHEMBL6435318

SCHEMBL6435318

C=C(C)OC(=O)N1CCN(c2ccc(N)nc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPC6 Q9Y210 3/20 0.48
▸ CASP6 P55212 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ AOC3 Q16853 5/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ SYK P43405 2/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ GCK P35557 1/20 0.39
▸ GCKR Q14397 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL21152690 0.83 TRPC6 (0.45) TRPC6CASP6GFERMAPTALDH1A1
SCHEMBL2450248 0.82 CASP6 (0.64) TRPC6CASP6GFERMAPTKMT2A
SCHEMBL29544175 0.82 CASP6 (0.64) TRPC6CASP6GFERMAPTKMT2A
SCHEMBL13544632 0.81 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1393764 0.81 MAPT (0.56) TRPC6MAPTALDH1A1KMT2ALMNA
SCHEMBL29426702 0.81 MAPT (0.56) TRPC6MAPTALDH1A1KMT2ALMNA
SCHEMBL26641577 0.80 MAPT (0.58) TRPC6MAPTALDH1A1KMT2ALMNA
SCHEMBL29437363 0.80 GPR119 (0.55) TRPC6MAPTALDH1A1KMT2ALMNA
Ammonia Solution, Strong SCHEMBL28415331 0.80 GPR119 (0.55) TRPC6MAPTALDH1A1KMT2ALMNA
SCHEMBL27971689 0.79 TRPC6 (0.49) TRPC6CASP6GFERMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115878-A1 SALT(S) OF 7-CYCLOPENTYL-2-(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF CALIENNI JOHN VINCENT (US) 2012-05-10 — — US disclosed
US-20100004243-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-07 — — 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-20100004243-A1 PHARMACEUTICAL COMPOUNDS CDK1, CDK2, CDK4 TRPC6 2326/4885CASP6 2249/4885GFER 2382/4885
US-20120115878-A1 SALT(S) OF 7-CYCLOPENTYL-2-(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF PKD2, SLC6A7, DHPS TRPC6 857/4885CASP6 1518/4885GFER 4052/4885

“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.

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