SCHEMBL5871312

SCHEMBL5871312

CN(C)c1ccc2c(c1)NCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL3523161 0.89 KDM4E (0.50) GFERSMN1; SMN2ALDH1A1ALOX15HSD17B10
SCHEMBL8526314 0.85 DRD2 (0.53) DRD2DRD4ALDH1A1ALOX15HSD17B10
SCHEMBL27418887 0.80 MAPT (0.43) GFERALDH1A1ALOX15HSD17B10GAA
SCHEMBL14115843 0.76 SMN1; SMN2 (0.44) GFERSMN1; SMN2DRD2DRD4ALDH1A1
SCHEMBL2577433 0.74 HTR2C (0.53) DRD2ADRA2AADRA2BADRA2CHTR2C
SCHEMBL15880099 0.74 KCNK3 (0.53) SMN1; SMN2ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL12061623 0.74 MAPT (0.67) DRD2DRD4ALDH1A1ALOX15HSD17B10
SCHEMBL426519 0.74 PARP10 (0.56) GFERSMN1; SMN2DRD2DRD4ALDH1A1
SCHEMBL30564582 0.74 PARP10 (0.56) GFERSMN1; SMN2DRD2DRD4ALDH1A1
SCHEMBL4450850 0.73 ALDH1A1 (0.34) GFERSMN1; SMN2ALDH1A1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104204136-B Indolo [2,1-a ] quinazoline derivatives for stabilizing organic materials 巴斯夫欧洲公司 2016-12-28 CN disclosed
CN-104204136-A Indolo [2,1-a ] quinazoline derivatives for stabilizing organic materials BASF SE 2014-12-10 CN disclosed
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
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 CN 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
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN 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 GFER 3878/4885SMN1; SMN2 39/4885DRD2 51/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 GFER 4034/4885SMN1; SMN2 81/4885DRD2 54/4885

“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.