SCHEMBL5871022

SCHEMBL5871022

COc1cccc(CCc2c[nH]c3ccccc23)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
GPR84 Q9NQS5 1/20 0.60
MEN1 O00255 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CDK4 P11802 2/20 0.58
CCND1 P24385 2/20 0.58
ACHE P22303 1/20 0.56
HTR1A P08908 2/20 0.55
SSTR4 P31391 2/20 0.55
SSTR3 P32745 1/20 0.55
HTR2A P28223 1/20 0.54
GABRP O00591 1/20 0.54
GABRD O14764 1/20 0.54
GABRA1 P14867 1/20 0.54
GABRB1 P18505 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54

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
Hydrochloric Acid SCHEMBL11478621 0.87 KMT2A (0.83) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL31744749 0.87 GPR84 (0.70) KMT2AGPR84MEN1KDM4EALDH1A1
SCHEMBL21399377 0.87 GPR84 (0.70) KMT2AGPR84MEN1KDM4EALDH1A1
SCHEMBL25169575 0.85 KMT2A (1.00) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL31113939 0.85 KMT2A (1.00) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7372873 0.84 KMT2A (0.69) KMT2AGPR84MEN1KDM4EALDH1A1
SCHEMBL25175589 0.84 HTR6 (0.73) KMT2AGPR84MEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11479836 0.84 HTR2A (0.61) KMT2AGPR84MEN1KDM4EALDH1A1
SCHEMBL9304042 0.82 KMT2A (0.67) KMT2AMEN1CDK4CCND1ACHE
SCHEMBL7852870 0.82 GFER (0.65) KMT2AMEN1CDK4CCND1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 1128/4885GPR84 3231/4885MEN1 424/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 KMT2A 1347/4885GPR84 2417/4885MEN1 574/4885

“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.