SCHEMBL3086360

SCHEMBL3086360

Cc1ccccc1CCC1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.55
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 2/20 0.48
HTR2C P28335 2/20 0.47
LMNA P02545 1/20 0.46
GBA1 P04062 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL1475243 0.94 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR2CLMNA
SCHEMBL8148649 0.84 TAAR1 (0.48) TAAR1
SCHEMBL16191057 0.82 TAAR1 (0.47) TAAR1
SCHEMBL3966077 0.82 GBA1 (0.56) SLC6A4SLC6A2SLC6A3HTR2CLMNA
SCHEMBL16191827 0.81 ACHE (0.51) SLC6A4TAAR1
SCHEMBL9386979 0.80 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3GBA1HRH3
Hydrochloric Acid SCHEMBL27158131 0.80 KMT2A (0.48) SLC6A4SLC6A2SLC6A3LMNACYP2D6
SCHEMBL1475594 0.79 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HTR2CGBA1
SCHEMBL19265565 0.79 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3GBA1TAAR1
SCHEMBL16056162 0.79 GNAI3 (0.55) SLC6A4SLC6A2HTR2CKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799787-B2 Heteroaromatic compounds as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2010-09-21 US disclosed
US-20090088431-A1 Heteroaromatic Compounds as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. 2009-04-02 US disclosed
EP-1966183-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2008-09-10 EP disclosed
WO-2007071023-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-06-28 WO disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
EP-0524846-A1 2-(Piperidin-1-yl)ethanol derivatives, their preparation and their use in therapeutics SYNTHELABO (FR) 1993-01-27 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 (1 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-20090088431-A1 Heteroaromatic Compounds as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase SCD, SCD5, SREBF1 SLC6A4 4324/4885SLC6A2 4429/4885SLC6A3 4305/4885

“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.