SCHEMBL5871428

SCHEMBL5871428

c1ccc2c(c1)CCCN2C1CCNCC1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.83
HTR2B P41595 7/20 0.83
HTR2A P28223 2/20 0.65
NOS1 P29475 2/20 0.48
CYP2C19 P33261 1/20 0.48
NOS3 P29474 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
ALDH1A1 P00352 2/20 0.44
DPP4 P27487 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL21788625 0.91 HTR2C (0.73) HTR2CHTR2BHTR2ANOS1NOS3
SCHEMBL2709111 0.90 HTR2C (0.77) HTR2CHTR2BHTR2ANOS1NOS3
Hydrochloric Acid SCHEMBL3947175 0.89 HTR2C (0.75) HTR2CHTR2BHTR2ANOS1CYP2C19
Trifluoroacetic Acid SCHEMBL6246336 0.87 HTR2C (0.64) HTR2CHTR2BHTR2ANOS1CYP2C19
SCHEMBL21307179 0.85 HTR2C (0.60) HTR2CHTR2BHTR2AOPRM1OPRD1
SCHEMBL21307175 0.85 HTR2C (0.60) HTR2CHTR2BHTR2AOPRM1OPRD1
SCHEMBL2675787 0.82 HTR2C (0.57) HTR2CHTR2BHTR2ANOS1NOS3
SCHEMBL15202984 0.81 HTR2C (0.77) HTR2CHTR2BHTR2ANOS1NOS3
SCHEMBL16948341 0.80 HTR2C (0.59) HTR2CHTR2BHTR2AOPRM1OPRD1
SCHEMBL10652419 0.80 HTR2C (0.71) HTR2CHTR2BHTR2ANOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238658-B2 Substituted piperidinyl-carboxamide derivatives useful as SCD 1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2016-01-19 US disclosed
US-20140364393-A1 SUBSTITUTED PIPERIDINYL-CARBOXAMIDE DERIVATIVES USEFUL AS SCD 1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-12-11 US 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
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 (3 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-20140364393-A1 SUBSTITUTED PIPERIDINYL-CARBOXAMIDE DERIVATIVES USEFUL AS SCD 1 INHIBITORS SCD, SCD5, FASN HTR2C 1942/4885HTR2B 1893/4885HTR2A 1351/4885
US-20020019531-A1 Indoles INMT, MUSK, MB HTR2C 222/4885HTR2B 91/4885HTR2A 209/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2C 107/4885HTR2B 45/4885HTR2A 143/4885

“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.