SCHEMBL6154557

SCHEMBL6154557

NN1CCCC(Cc2cc(OC(F)(F)F)ccc2OCC2CC2)C1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.43
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
DCPS Q96C86 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 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
SCHEMBL8694736 0.90 TACR1 (0.54) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6931695 0.87 TACR1 (0.52) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6700500 0.87 TACR1 (0.52) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4913542 0.87 TACR1 (0.52) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4918429 0.87 TACR1 (0.45) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL7254534 0.87 TACR1 (0.43) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4915866 0.87 TACR1 (0.45) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL4913478 0.87 TACR1 (0.53) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL4918611 0.86 TACR1 (0.45) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6153291 0.85 TACR1 (0.54) TACR1CYP2D6KCNH2HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027892-B1 Azithromycin combination for emesis control in dogs PFIZER PROD INC (US) 2005-08-17 EP claimed
US-20030199540-A1 Fluoroalkyoxybenzylamino derivatives of nitrogen containing heterocycles LOWE JOHN ADAMS (US) 2003-10-23 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-20030199540-A1 Fluoroalkyoxybenzylamino derivatives of nitrogen containing heterocycles FPR1, OPRK1, CNR1 TACR1 517/4885CYP2D6 343/4885KCNH2 317/4885

“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.