SCHEMBL344787

SCHEMBL344787

NCCC1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHRM4 P08173 5/20 0.42
RPS6KB1 P23443 1/20 0.41
BPTF Q12830 1/20 0.41
NOTUM Q6P988 1/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
DRD4 P21917 1/20 0.41
DEGS1 O15121 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A7 Q99884 1/20 0.40

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
SCHEMBL3301450 0.82 BPTF (0.54) HRH3ALDH1A1LMNAMAPTMAPK1
SCHEMBL345939 0.81 KDM1A (0.44) RPS6KB1DRD2DRD3DRD4SLC6A7
SCHEMBL345280 0.80 DRD4 (0.46) ALDH1A1LMNAMAPTCHRM4RPS6KB1
SCHEMBL12419700 0.79 HRH4 (0.54) HRH3CHRM4RPS6KB1NOTUMDEGS1
SCHEMBL8133600 0.79 HRH3 (0.50) HRH3ALDH1A1LMNAMAPTMAPK1
SCHEMBL32665533 0.79 TDP1 (0.45) ALDH1A1LMNAMAPTTDP1CHRM4
SCHEMBL4703341 0.78 CYP2D6 (0.50) HRH3CHRM4BPTF
SCHEMBL20495181 0.78 ALDH1A1 (0.53) HRH3ALDH1A1LMNAMAPTMAPK1
SCHEMBL344551 0.76 CHRM4 (0.60) CHRM4NOTUMDRD2DRD4MEN1
SCHEMBL344912 0.76 SCD (0.53) MAPTMEN1KMT2A

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
EP-2356108-B1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-15 EP disclosed
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 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 (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 HRH3 50/4885ALDH1A1 2486/4885LMNA 3145/4885

“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.