SCHEMBL7199872

SCHEMBL7199872

FC(F)(F)Oc1ccc(OC2CC2)c(CN[C@@H]2CCCN[C@@H]2c2ccccc2)c1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.81
CYP2D6 P10635 5/20 0.81
KCNH2 Q12809 1/20 0.81
HTR1A P08908 1/20 0.80
HTR2A P28223 1/20 0.80
HTR2C P28335 1/20 0.80
HRH1 P35367 1/20 0.80
HTR2B P41595 1/20 0.80
SLC6A3 Q01959 1/20 0.80
TMEM97 Q5BJF2 1/20 0.80
SIGMAR1 Q99720 1/20 0.80

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
SCHEMBL7928871 1.00 TACR1 (0.81) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL502157 1.00 TACR1 (0.81) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL3471040 1.00 TACR1 (0.81) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL7225876 0.99 TACR1 (0.81) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL7933491 0.92 TACR1 (0.69) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL7933495 0.91 TACR1 (0.69) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4918415 0.91 TACR1 (0.86) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4915848 0.91 TACR1 (0.86) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL4918599 0.90 TACR1 (0.85) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL8458282 0.90 TACR1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030215456-A1 Method of treating cancer YAO SUI-LONG (US) 2003-11-20 US claimed

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-20030215456-A1 Method of treating cancer TACR1, TACR2, KLK3 TACR1 1/4885CYP2D6 3635/4885KCNH2 1492/4885

“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.