SCHEMBL3453086

SCHEMBL3453086

BrCCc1ccc2c(c1)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.39
RXRB P28702 2/20 0.38
CETP P11597 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 3/20 0.36
RXRA P19793 1/20 0.36
RXRG P48443 1/20 0.36
LMNA P02545 1/20 0.36
STS P08842 1/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL3452332 0.98 RXRB (0.41) HPGDMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL9720050 0.86 TSHR (0.46) HPGDMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL81619 0.86 RXRB (0.39) HPGDMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3284644 0.82 TSHR (0.42) HPGDMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3279449 0.80 RXRB (0.42) HPGDMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL231238 0.79 GRIN2B (0.38) RXRBALOX15
SCHEMBL9711010 0.79 DRD2 (0.39) RXRBCETP
SCHEMBL17186185 0.78 TAAR1 (0.47) MAPTCYP1A2CYP2C19TDP1ADRA2A
SCHEMBL30496730 0.78 TAAR1 (0.47) MAPTCYP1A2CYP2C19TDP1ADRA2A
SCHEMBL8853672 0.78 ALDH1A1 (0.48) HPGDMAPTCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858824-B2 Aralkyltetrahydropyridines, their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2010-12-28 US disclosed
US-20080097117-A1 Aralkyltetrahydropyridines, Their Preparation and Pharmaceutical Compositions Containing Them SANOFI-AVENTIS (FR) 2008-04-24 US disclosed
US-7326723-B2 Aralkyl-tetrahydro-pyridines, their preparation and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-02-05 US disclosed
EP-1438291-B1 ARALKYL-TETRAHYDRO-PYRIDINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2005-09-07 EP disclosed
US-20050014795-A1 Aralkyl-tetrahydro-pyridines, their preparation and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2005-01-20 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-20050014795-A1 Aralkyl-tetrahydro-pyridines, their preparation and pharmaceutical compositions containing same CYCS, NADK, CYP2F1 HPGD 350/4885MAPT 3304/4885CYP1A2 15/4885
US-20080097117-A1 Aralkyltetrahydropyridines, Their Preparation and Pharmaceutical Compositions Containing Them CYP3A43, CYCS, CCNY HPGD 250/4885MAPT 2797/4885CYP1A2 8/4885

“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.