SCHEMBL662525

SCHEMBL662525

CNCc1ccc(Cl)c(CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.40
HTR2C P28335 4/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1E P28566 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 1/20 0.40
SLC6A4 P31645 10/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
NOS1 P29475 3/20 0.38
NOS3 P29474 2/20 0.38
NOS2 P35228 1/20 0.38
TSHR P16473 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
HPGD P15428 1/20 0.35
KCNH2 Q12809 4/20 0.33

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
SCHEMBL3075604 0.86 HTR1A (0.41) HTR2AHTR1AHTR1DHTR1BHTR1E
SCHEMBL3092953 0.86 HTR1A (0.42) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL1750278 0.84 TSHR (0.58) TSHRHPGDSMN1; SMN2BACE1
SCHEMBL1751532 0.84 TSHR (0.45) TSHRHPGDSMN1; SMN2BACE1
SCHEMBL1751423 0.83 CYP1A2 (0.36) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL1751326 0.83 KMT2A (0.42) KCNH2SMN1; SMN2
SCHEMBL661775 0.83 USP14 (0.35) TSHRMRGPRX4HPGDSMN1; SMN2BACE1
SCHEMBL1751844 0.83 CSNK2A1 (0.38) MRGPRX4BACE1
SCHEMBL3085952 0.82 PLA2G1B (0.33) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL1752272 0.82 TSHR (0.43) TSHRHPGDSMN1; SMN2

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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES BEZENCON OLIVIER 2010-12-23 US disclosed
US-7799805-B2 Piperidine carboxylic acid amide derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-21 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 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 (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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 HTR2A 3689/4885HTR2C 3731/4885HTR1A 3776/4885
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives REN, ACE, AGTR2 HTR2A 2555/4885HTR2C 2669/4885HTR1A 3090/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 HTR2A 1616/4885HTR2C 1693/4885HTR1A 1917/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT HTR2A 4397/4885HTR2C 4271/4885HTR1A 3903/4885

“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.