SCHEMBL22901699

SCHEMBL22901699

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@H]1Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.71
RHOC P08134 1/20 0.60
RHOA P61586 1/20 0.60
TACR3 P29371 1/20 0.54
DAGLA Q9Y4D2 7/20 0.53
ABHD6 Q9BV23 5/20 0.53
SCD5 Q86SK9 1/20 0.50

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
SCHEMBL8925154 0.94 TACR1 (0.64) TACR1RHOCRHOATACR3DAGLA
SCHEMBL4438135 0.89 RHOC (0.73) TACR1RHOCRHOA
SCHEMBL9113036 0.84 TACR1 (0.78) TACR1RHOCRHOATACR3
SCHEMBL9112230 0.84 TACR1 (0.78) TACR1RHOCRHOATACR3
SCHEMBL7459083 0.83 TACR1 (1.00) TACR1RHOCRHOATACR3
SCHEMBL13818185 0.83 TACR1 (0.77) TACR1RHOCRHOATACR3
SCHEMBL8297226 0.83 TACR1 (1.00) TACR1RHOCRHOATACR3
SCHEMBL1534317 0.83 RHOC (0.65) TACR1RHOCRHOA
SCHEMBL7643493 0.82 TACR1 (0.81) TACR1TACR3
SCHEMBL7643492 0.82 TACR1 (0.81) TACR1TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210015834-A1 NK-1 ANTAGONISTS FOR USE IN THE TREATMENT OF OCULAR PAIN OSPEDALE SAN RAFFAELE S.R.L. (IT) 2021-01-21 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-20210015834-A1 NK-1 ANTAGONISTS FOR USE IN THE TREATMENT OF OCULAR PAIN OPRK1, OPRL1, KLKB1 TACR1 18/4885RHOC 3731/4885RHOA 3619/4885

“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.