SCHEMBL9366351

SCHEMBL9366351

CN1CCN(C(Cc2ccccc2)c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
TSHR P16473 1/20 0.70
CYP2C19 P33261 1/20 0.70
SLC6A4 P31645 3/20 0.66
SLC6A2 P23975 2/20 0.66
CCR3 P51677 2/20 0.62
MC4R P32245 5/20 0.60
IDO1 P14902 1/20 0.59
CHRM1 P11229 4/20 0.58
OPRM1 P35372 2/20 0.58
CHRM2 P08172 1/20 0.58
CHRM4 P08173 1/20 0.58
CHRM5 P08912 1/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CHRM3 P20309 1/20 0.58
DRD1 P21728 1/20 0.58
ADRA1D P25100 1/20 0.58

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
SCHEMBL9366741 0.84 CYP1A2 (0.96) CYP2D6CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL16226720 0.83 SLC6A4 (0.68) CYP2D6CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL3715253 0.82 CYP1A2 (1.00) CYP2D6CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL14593276 0.82 MC4R (0.69) CYP2D6TSHRCYP2C19SLC6A4SLC6A2
SCHEMBL14731798 0.81 CYP1A2 (0.68) CYP2D6CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL11504609 0.81 CYP1A2 (0.68) CYP2D6CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL14722649 0.81 CYP1A2 (0.68) CYP2D6CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL11504581 0.81 CYP1A2 (0.62) CYP2D6CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL25375773 0.81 MC4R (0.62) CYP2D6TSHRCYP2C19SLC6A4SLC6A2
SCHEMBL2843665 0.81 MC4R (0.62) CYP2D6TSHRCYP2C19SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346791-A1 1,2-diarylethylamines for treatment of neurotoxic injury G.D. Searle & Co. (US) 1989-12-20 EP claimed
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
EP-0346791-B1 1,2-diarylethylamines for treatment of neurotoxic injury SEARLE & CO (US) 1994-04-06 EP disclosed
EP-0346791-A1 1,2-diarylethylamines for treatment of neurotoxic injury G.D. Searle & Co. (US) 1989-12-20 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 CYP2D6 1097/4885CYP1A2 998/4885CYP3A4 2240/4885

“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.