SCHEMBL472999

SCHEMBL472999

Clc1ccc(Br)cc1OC1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.56
HTR6 P50406 2/20 0.56
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
HRH1 P35367 2/20 0.44
NMT1 P30419 1/20 0.43
HTR1A P08908 1/20 0.42
SLC6A2 P23975 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
Hydrochloric Acid SCHEMBL10276278 0.98 SLC6A4 (0.55) SLC6A4HTR6HTR2CHTR2BIKBKB
SCHEMBL265784 0.88 SLC6A4 (0.43) SLC6A4HTR6
SCHEMBL22816372 0.85 CSNK2A1 (0.47) SLC6A4HTR6
SCHEMBL1782182 0.83 HTR2C (0.55) SLC6A4HTR2CHTR2BNMT1
SCHEMBL16695309 0.83 CSNK2A1 (0.46) SLC6A4HTR6
Hydrochloric Acid SCHEMBL10276656 0.82 HTR2C (0.54) SLC6A4HTR2CHTR2BNMT1
SCHEMBL4800981 0.81 KMO (0.44) SLC6A4HTR6
SCHEMBL1231225 0.81 HTR2C (0.48) SLC6A4HTR2CHTR2BHRH1NMT1
SCHEMBL4804316 0.81 KMO (0.44) SLC6A4HTR6
SCHEMBL83793 0.81 SCD (0.52) SLC6A4HTR2CHTR2BHRH1NMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328886-B1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PF MEDICAMENT (FR) 2016-12-28 EP disclosed
US-8618287-B2 Derivatives of triazines and uracils, their preparation and their application in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2013-12-31 US disclosed
CN-101589039-B Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme A delta-9 desaturase MERCK FROSST CANADA LTD 2012-09-05 CN disclosed
EP-2099793-B1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC (CA) 2012-02-01 EP disclosed
US-8063224-B2 [5-(5-{4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)-2H-tetrazol-2-yl]acetic acid; metabolic disorders,antidiabetic, hypoglycemic agent; obesity, insulin resistance, liver steatosis, atherosclerosis, neurological disease, dyslipidemia, hyperlipidemia, low HDL, and high LDL MERCK CANADA INC. (CA) 2011-11-22 US disclosed
EP-2328886-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS Pierre Fabre Médicament (FR) 2011-06-08 EP disclosed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 US disclosed
WO-2010006962-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2010-01-21 WO disclosed
CN-101589039-A Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme A delta-9 desaturase MERCK FROSST CANADA LTD (CA) 2009-11-25 CN disclosed
EP-2099793-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-09-16 EP disclosed
WO-2008064474-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-06-05 WO disclosed
US-20080132542-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK CANADA INC. (CA) 2008-06-05 US 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-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS UNG, TYMS, UMPS SLC6A4 1588/4885HTR6 1616/4885HTR2C 452/4885
US-20080132542-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase SCD, SCD5, SREBF1 SLC6A4 4787/4885HTR6 4438/4885HTR2C 4639/4885

“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.