SCHEMBL13397666

SCHEMBL13397666

NC1CCCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
EPHX1 P07099 5/20 0.41
EPHX2 P34913 3/20 0.39
KDM1A O60341 1/20 0.38
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
RIPK1 Q13546 1/20 0.35

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
SCHEMBL4131266 0.92 EPHX1 (0.45) CHRM2CHRM1CHRM3EPHX1EPHX2
Hydrochloric Acid SCHEMBL2798175 0.90 EPHX1 (0.44) CHRM2CHRM1CHRM3EPHX1EPHX2
Hydrochloric Acid SCHEMBL2794765 0.90 EPHX1 (0.44) CHRM2CHRM1CHRM3EPHX1EPHX2
SCHEMBL14208049 0.87 HPGDS (0.38) EPHX1EPHX2KDM1ADPP4DPP8
Trifluoroacetic Acid SCHEMBL29191950 0.87 CHRM2 (0.44) CHRM2CHRM1CHRM3EPHX1EPHX2
SCHEMBL4634900 0.82 EPHX1 (0.41) CHRM2CHRM1CHRM3EPHX1EPHX2
SCHEMBL4634897 0.82 EPHX1 (0.41) CHRM2CHRM1CHRM3EPHX1EPHX2
SCHEMBL5511542 0.82 EPHX1 (0.41) CHRM2CHRM1CHRM3EPHX1EPHX2
Hydrochloric Acid SCHEMBL4635025 0.81 EPHX1 (0.40) CHRM2CHRM1CHRM3EPHX1EPHX2
SCHEMBL22596144 0.79 EPHX1 (0.42) EPHX1EPHX2KDM1ARIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 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-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives MYLK2, MYLK, MYLK3 CHRM2 1519/4885CHRM1 1150/4885CHRM3 1089/4885

“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.