SCHEMBL695898

SCHEMBL695898

O=C(CCl)NC1CCc2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 4/20 0.57
MTNR1A P48039 3/20 0.56
MTNR1B P49286 3/20 0.56
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP19A1 P11511 3/20 0.41

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
SCHEMBL30721496 0.81 NPC1 (0.67) SMN1; SMN2NPC1RAB9AALDH1A1MTNR1A
SCHEMBL697728 0.81 NPC1 (0.67) SMN1; SMN2NPC1RAB9AALDH1A1MTNR1A
SCHEMBL4866618 0.81 ALDH1A1 (0.83) SMN1; SMN2ALDH1A1MTNR1AMTNR1BPOLB
SCHEMBL14698658 0.81 ALDH1A1 (0.83) SMN1; SMN2ALDH1A1MTNR1AMTNR1BPOLB
SCHEMBL4858887 0.81 ALDH1A1 (0.83) SMN1; SMN2ALDH1A1MTNR1AMTNR1BPOLB
SCHEMBL30985347 0.81 ALDH1A1 (0.83) SMN1; SMN2ALDH1A1MTNR1AMTNR1BPOLB
SCHEMBL7272079 0.78 NPC1 (0.80) SMN1; SMN2NPC1RAB9AALDH1A1MTNR1A
SCHEMBL7272405 0.78 MAPT (0.74) ALDH1A1MTNR1AMTNR1BMAPTCYP1A2
SCHEMBL14159713 0.77 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL10394613 0.77 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
EP-2423207-A2 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 EP disclosed
EP-2423207-A2 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 EP disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
EP-2001863-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-17 EP disclosed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 WO disclosed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 WO disclosed
US-4420480-A PARKINSONISM, DEPRESSION, HYPOTENSIVES MERCK & CO., INC. (US) 1983-12-13 US disclosed
EP-0080115-A2 Hexahydronaphth(1,2-b)-1,4-oxazines, process for their preparation and pharmaceutical formulation containing them MERCK & CO. INC. (US) 1983-06-01 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 (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-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MAPT, PRMT1, PSEN1 SMN1; SMN2 819/4885NPC1 3364/4885RAB9A 2101/4885

“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.