SCHEMBL5871326

SCHEMBL5871326

Fc1ccc2c(c1)N(C1CCNCC1)CC2

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.66
HTR2B P41595 5/20 0.66
SCD O00767 9/20 0.53
NOS1 P29475 2/20 0.49
NOS3 P29474 1/20 0.49
NOS2 P35228 1/20 0.49

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 SCHEMBL16279347 0.98 HTR2C (0.64) HTR2CHTR2BSCDNOS1NOS3
SCHEMBL2463260 0.88 HTR2C (0.66) HTR2CHTR2BSCDNOS1NOS2
SCHEMBL5871363 0.82 HTR2C (0.50) HTR2CHTR2BNOS1NOS3NOS2
SCHEMBL4995439 0.82 HTR2C (0.63) HTR2CHTR2BSCDNOS1NOS3
SCHEMBL7172358 0.79 HTR2C (1.00) HTR2CHTR2B
SCHEMBL5871641 0.78 HTR2C (0.65) HTR2CHTR2BSCDNOS1NOS3
SCHEMBL2709111 0.78 HTR2C (0.77) HTR2CHTR2BSCDNOS1NOS3
SCHEMBL16229892 0.77 NOS1 (0.53) HTR2CHTR2BNOS1NOS3NOS2
Hydrochloric Acid SCHEMBL3947175 0.76 HTR2C (0.75) HTR2CHTR2BSCDNOS1NOS3
SCHEMBL5871631 0.76 ADRA2A (0.46) HTR2CHTR2BNOS1NOS3NOS2

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 14 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-9102669-B2 Substituted piperidinyl-pyridazinyl derivatives useful as SCD 1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-08-11 US disclosed
US-20140371220-A1 SUBSTITUTED PIPERIDINYL-PYRIDAZINYL DERIVATIVES USEFUL AS SCD 1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-12-18 US disclosed
US-20140364393-A1 SUBSTITUTED PIPERIDINYL-CARBOXAMIDE DERIVATIVES USEFUL AS SCD 1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-12-11 US disclosed
WO-2013085957-A1 SUBSTITUTED PIPERIDINYL-PYRIDAZINYL DERIVATIVES USEFUL AS SCD 1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-06-13 WO disclosed
WO-2013085957-A1 SUBSTITUTED PIPERIDINYL-PYRIDAZINYL DERIVATIVES USEFUL AS SCD 1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-06-13 WO disclosed
WO-2013085954-A1 SUBSTITUTED PIPERIDINYL-CARBOXAMIDE DERIVATIVES USEFUL AS SCD 1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-06-13 WO 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
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 (4 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 1893/4885SCD 1/4885
US-20020019531-A1 Indoles INMT, MUSK, MB HTR2C 222/4885HTR2B 91/4885SCD 2882/4885
US-20140371220-A1 SUBSTITUTED PIPERIDINYL-PYRIDAZINYL DERIVATIVES USEFUL AS SCD 1 INHIBITORS SCD, SCD5, PLIN1 HTR2C 1690/4885HTR2B 1971/4885SCD 1/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2C 107/4885HTR2B 45/4885SCD 3282/4885

“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.