SCHEMBL13636650

SCHEMBL13636650

CCC(CC)N1CCN(C(=O)c2ccc(CNc3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.60
EPHX2 P34913 2/20 0.57
PRKAB2 O43741 4/20 0.53
PRKAG1 P54619 4/20 0.53
PRKAA2 P54646 4/20 0.53
PRKAA1 Q13131 4/20 0.53
PRKAG3 Q9UGI9 4/20 0.53
PRKAG2 Q9UGJ0 4/20 0.53
PRKAB1 Q9Y478 4/20 0.53
MAPK10 P53779 1/20 0.52
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
FFAR1 O14842 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47

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 SCHEMBL1177476 0.99 HRH3 (0.61) HRH3EPHX2PRKAB2PRKAG1PRKAA2
SCHEMBL1177142 0.89 EPHX2 (0.72) HRH3EPHX2PRKAB2PRKAG1PRKAA2
SCHEMBL13636466 0.85 SLC6A7 (0.56) HRH3MAPK10MEN1KMT2A
Hydrochloric Acid SCHEMBL1177119 0.84 SLC6A7 (0.55) HRH3MAPK10MEN1KMT2A
SCHEMBL1177319 0.82 PRKAB2 (0.57) EPHX2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3275355 0.80 NAMPT (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1177305 0.76 ALDH1A1 (0.56) HRH3MEN1HPGDKMT2A
SCHEMBL4388880 0.76 HRH3 (1.00) HRH3CNR1
SCHEMBL1177089 0.76 SLC6A7 (0.55) HRH3MAPK10MEN1KMT2A
Hydrochloric Acid SCHEMBL4383019 0.75 HRH3 (1.00) HRH3CNR1

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
EP-1558595-B1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA NV (BE) 2009-11-25 EP disclosed
US-7414047-B2 Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-19 US disclosed
US-7414047-B2 Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-19 US disclosed
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES APODACA RICHARD L 2008-03-06 US disclosed
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES APODACA RICHARD L 2008-03-06 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-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES HRH2, HNMT, HRH3 HRH3 3/4885EPHX2 1050/4885PRKAB2 2137/4885

“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.