SCHEMBL5872141

SCHEMBL5872141

NCCN1CCN(N2CCc3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
HTR2A P28223 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
DRD3 P35462 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
PRMT3 O60678 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT1 Q99873 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
LMNA P02545 1/20 0.39
PTK2B Q14289 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL2704963 0.76 ALDH1A1 (0.48) ALOX15ALDH1A1MEN1KMT2AUSP2
SCHEMBL2338480 0.74 ALDH1A1 (0.47) ALOX15ALDH1A1MEN1KMT2AUSP2
SCHEMBL30157536 0.73 ALDH1A1 (0.78) ALOX15ALDH1A1MEN1KMT2AUSP2
SCHEMBL5905934 0.73 ALDH1A1 (0.78) ALOX15ALDH1A1MEN1KMT2AUSP2
SCHEMBL5871358 0.73 OPRM1 (0.51) ALOX15ALDH1A1MEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL16447616 0.71 ALDH1A1 (0.75) ALOX15ALDH1A1MEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL32678251 0.71 ALDH1A1 (0.75) ALOX15ALDH1A1MEN1KMT2AUSP2
SCHEMBL3196430 0.71 HTR2C (0.45) ALOX15ALDH1A1MEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL32678255 0.71 ALDH1A1 (0.75) ALOX15ALDH1A1MEN1KMT2AUSP2
SCHEMBL335190 0.69 KDM4E (0.58) ALDH1A1HTR2ADRD3KDM4EDRD2

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 ALOX15 2990/4885ALDH1A1 3599/4885MEN1 424/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 ALOX15 4134/4885ALDH1A1 3941/4885MEN1 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.