SCHEMBL5745400

SCHEMBL5745400

CN1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.61
KCNH2 Q12809 1/20 0.61
SIGMAR1 Q99720 5/20 0.57
MAOA P21397 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR7 P34969 2/20 0.53
HTR6 P50406 1/20 0.53
MC4R P32245 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51

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
SCHEMBL23377845 0.84 HRH3 (0.62) KCNJ1KCNH2SIGMAR1MAOAHTR2A
SCHEMBL23377646 0.84 HRH3 (0.68) KCNJ1KCNH2SIGMAR1MAOACYP1A2
SCHEMBL24322840 0.83 KCNH2 (0.59) KCNJ1KCNH2SIGMAR1MAOAHTR2A
SCHEMBL1507008 0.82 LMNA (0.67) ALDH1A1MC4R
SCHEMBL9629316 0.82 HRH3 (0.71) KCNJ1KCNH2SIGMAR1MAOACYP1A2
SCHEMBL12880035 0.82 HRH3 (0.75) KCNJ1KCNH2SIGMAR1CYP1A2CYP2D6
SCHEMBL24322836 0.82 CARM1 (0.59) KCNJ1KCNH2SIGMAR1MAOAHTR2A
SCHEMBL8804098 0.81 MAOA (0.67) KCNJ1KCNH2SIGMAR1MAOAHTR2A
SCHEMBL1239240 0.81 SIGMAR1 (0.57) KCNJ1KCNH2SIGMAR1CYP1A2CYP2D6
SCHEMBL4627966 0.81 SIGMAR1 (0.71) SIGMAR1CYP1A2CYP2D6TMEM97MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508526-A1 Spiroalkene carboxamide derivatives and their use as chemokine receptor modulators Ares Trading SA (CH) 2012-10-10 EP disclosed
WO-2012130915-A1 SPIROALKENE CARBOXAMIDE DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTOR MODULATORS ARES TRADING S.A. (CH) 2012-10-04 WO disclosed
US-7880009-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; (E)-N-biphenyl-3-ylmethyl-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylamide for example; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42 EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-01 US disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
EP-1545528-A4 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2006-07-26 EP disclosed
EP-1545528-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC. (US) 2005-06-29 EP disclosed
WO-2004022712-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2004-03-18 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-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 KCNJ1 571/4885KCNH2 741/4885SIGMAR1 1457/4885

“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.