SCHEMBL8917197

SCHEMBL8917197

Fc1ccc(F)c(CNC2CCCNC2c2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.76
CYP2D6 P10635 4/20 0.57
KCNH2 Q12809 1/20 0.57
HTR1A P08908 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HRH1 P35367 1/20 0.56
HTR2B P41595 1/20 0.56
SLC6A3 Q01959 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
SIGMAR1 Q99720 1/20 0.56

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
SCHEMBL8917194 1.00 TACR1 (0.76) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL8917204 1.00 TACR1 (0.76) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4938888 0.93 TACR1 (0.65) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4938900 0.93 TACR1 (0.65) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4938892 0.93 TACR1 (0.65) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL31401591 0.88 TACR1 (0.61) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL8702339 0.88 TACR1 (0.72) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL8702337 0.88 TACR1 (0.72) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL8702331 0.88 TACR1 (0.72) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL9294005 0.88 TACR1 (0.68) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
US-5686615-A HYDROGENATION OF A PYRIDINE COMPOUND IN THE PRESENCE OF A METAL CATALYST PFIZER INC (US) 1997-11-11 US disclosed
EP-0436334-B1 3-Aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER (US) 1994-12-07 EP disclosed
US-5332817-A 3-aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER INC. (US) 1994-07-26 US disclosed
EP-0581777-A1 STEREOSELECTIVE PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1994-02-09 EP disclosed
US-5232929-A 3-aminopiperidine derivatives and related nitrogen containing heterocycles and pharmaceutical compositions and use PFIZER INC. (US) 1993-08-03 US disclosed
WO-1992017449-A1 STEREOSELECTIVE PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1992-10-15 WO disclosed
EP-0436334-A2 3-Aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER INC. (US) 1991-07-10 EP 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 TACR1 460/4885CYP2D6 1097/4885KCNH2 4377/4885

“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.