SCHEMBL933847

SCHEMBL933847

CN1CCC(Oc2ccn[c]n2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.40
CHRM3 P20309 4/20 0.40
CHRM4 P08173 3/20 0.40
CHRM5 P08912 3/20 0.40
CHRM2 P08172 3/20 0.39
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL12614947 0.93 CHRM2 (0.42) CHRM1CHRM3CHRM4CHRM5CHRM2
SCHEMBL933530 0.92 HRH3 (0.41) CHRM1CHRM3CHRM4CHRM5CHRM2
SCHEMBL16792800 0.77 LOX (0.37)
SCHEMBL9900381 0.73 HRH1 (0.43)
SCHEMBL19471650 0.73 HTR2C (0.44) CHRM1CHRM3CHRM4CHRM5CHRM2
SCHEMBL17687851 0.73 HTR2C (0.44) CHRM1CHRM3CHRM4CHRM5CHRM2
SCHEMBL23708521 0.72 PDE3B (0.55) CHRM1CHRM3CHRM4CHRM5CHRM2
SCHEMBL13162608 0.72 PDE3B (0.55) CHRM1CHRM3CHRM4CHRM5CHRM2
SCHEMBL20069121 0.72 PDE3B (0.55) CHRM1CHRM3CHRM4CHRM5CHRM2
SCHEMBL31403733 0.72 HRH3 (0.44) CHRM1CHRM3CHRM4CHRM5CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072890-B1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI PHARMA INC (US) 2018-10-17 EP disclosed
EP-3072890-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI Pharma, Inc. (US) 2016-09-28 EP disclosed
US-8486939-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy PATHWAY THERAPEUTICS INC. (US) 2013-07-16 US disclosed
EP-2532659-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy Pathway Therapeutics, Inc. (US) 2012-12-12 EP disclosed
EP-2451802-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-05-16 EP disclosed
US-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2011-01-13 US disclosed
WO-2011005119-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2011-01-13 WO 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-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY TYMP, TYMS, CCNI CHRM1 4780/4885CHRM3 4692/4885CHRM4 4849/4885

“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.