SCHEMBL344772

SCHEMBL344772

CNC1CCN(c2nccc(C(F)(F)F)n2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.53
RBP4 P02753 1/20 0.53
HRH4 Q9H3N8 14/20 0.50
ACACB O00763 1/20 0.49
HRH3 Q9Y5N1 2/20 0.48
HTR2C P28335 3/20 0.45
HTR2A P28223 2/20 0.45
HTR2B P41595 2/20 0.45

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 SCHEMBL17748980 0.91 ADRB1 (0.58) ADRB1RBP4HRH4ACACBHTR2C
SCHEMBL15662899 0.84 RBP4 (0.45) ADRB1RBP4HRH4ACACBHRH3
SCHEMBL27851172 0.81 HRH4 (0.69) HRH4HRH3
SCHEMBL6830334 0.80 SYK (0.51) ADRB1RBP4ACACB
SCHEMBL6830336 0.80 SYK (0.51) ADRB1RBP4ACACB
SCHEMBL14923154 0.79 ADRB1 (0.64) ADRB1RBP4HTR2CHTR2AHTR2B
SCHEMBL19658658 0.79 ACACB (0.54) ADRB1RBP4ACACB
SCHEMBL13082994 0.78 ADRB1 (0.56) ADRB1RBP4ACACBHTR2CHTR2A
SCHEMBL17753021 0.78 ADRB1 (0.56) ADRB1RBP4ACACBHTR2CHTR2A
SCHEMBL344771 0.77 ADRB1 (0.55) ADRB1RBP4ACACBHTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
EP-2356108-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-08-17 EP disclosed
WO-2010055267-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-05-20 WO 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A ADRB1 1968/4885RBP4 2582/4885HRH4 72/4885

“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.