SCHEMBL5871623

SCHEMBL5871623

Cc1cc2ccc(NC(=O)CF)cc2n1C1CCN(CCc2ccccc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CACNA1G O43497 1/20 0.40
DRD4 P21917 2/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR3 P51677 3/20 0.38
CXCR3 P49682 1/20 0.38
TERT O14746 1/20 0.38
OPRM1 P35372 3/20 0.37
OPRL1 P41146 1/20 0.37
MCHR1 Q99705 1/20 0.37
NPY5R Q15761 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL5871557 0.93 KMT2A (0.41) KMT2AMEN1CACNA1GDRD4POLB
SCHEMBL5871261 0.91 KDM4E (0.44) KMT2AMEN1CACNA1GCCR3CXCR3
SCHEMBL5871603 0.86 HTR2A (0.43) KMT2AMEN1CACNA1GSMN1; SMN2CCR3
SCHEMBL5202497 0.82 PLD2 (0.44) CACNA1GDRD4OPRM1OPRL1OPRD1
SCHEMBL5871036 0.81 HTR2A (0.43) MCHR1
SCHEMBL5871702 0.81 PLD2 (0.46) CACNA1GDRD4NPC1RAB9AOPRM1
SCHEMBL5871280 0.79 PLD2 (0.49) CACNA1GMAPTNPC1SMN1; SMN2
SCHEMBL5871162 0.79 HTR2A (0.43) KMT2AMEN1CACNA1GSMN1; SMN2CCR3
SCHEMBL5871451 0.78 ALDH1A1 (0.42) KMT2AMEN1CACNA1GRAB9ASMN1; SMN2
SCHEMBL5870994 0.78 CCR3 (0.43) KMT2AMEN1CACNA1GCCR3CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US claimed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US claimed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP claimed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 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-20020019531-A1 Indoles INMT, MUSK, MB KMT2A 1128/4885MEN1 424/4885CACNA1G 163/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 KMT2A 1347/4885MEN1 574/4885CACNA1G 118/4885

“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.