SCHEMBL7437112

SCHEMBL7437112

CC1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)CCN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.58
ACHE P22303 3/20 0.43
SIGMAR1 Q99720 2/20 0.42
CYP2D6 P10635 3/20 0.40
CYP19A1 P11511 1/20 0.40
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
IGF1R P08069 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4088775 0.86 HRH3 (0.48) HRH3SIGMAR1CYP2D6OPRM1SLC6A2
SCHEMBL4505701 0.86 HRH3 (0.48) HRH3SIGMAR1CYP2D6OPRM1SLC6A2
SCHEMBL3877345 0.86 HRH3 (0.48) HRH3SIGMAR1CYP2D6OPRM1SLC6A2
SCHEMBL26955676 0.84 CYP2D6 (0.60) HRH3CYP2D6CYP19A1OPRM1OPRD1
SCHEMBL2537196 0.83 MEN1 (0.58) HRH3CYP2D6OPRM1OPRD1OPRL1
SCHEMBL2315253 0.83 MEN1 (0.58) HRH3CYP2D6OPRM1OPRD1OPRL1
SCHEMBL4146000 0.83 MEN1 (0.58) HRH3CYP2D6OPRM1OPRD1OPRL1
SCHEMBL14033487 0.83 HRH3 (0.44) HRH3ACHECYP2D6CYP19A1OPRM1
SCHEMBL23599969 0.82 HRH3 (0.46) HRH3SIGMAR1CYP2D6SLC6A2SLC6A4
SCHEMBL13723347 0.82 HRH3 (0.46) HRH3SIGMAR1CYP2D6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239768-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION (US) 2023-12-14 WO disclosed
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
US-5703071-A Tropolone derivatives and pharmaceutical composition thereof for preventing and treating ischemic diseases PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
EP-0546102-B1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES UPJOHN CO (US) 1997-10-15 EP disclosed
US-5594144-A TREATING CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1997-01-14 US disclosed
EP-0283310-B1 N-BENZHYDRYL-SUBSTITUTED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE Sankyo Company Limited (JP) 1993-05-26 EP disclosed
WO-1992004338-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES THE UPJOHN COMPANY (US) 1992-03-19 WO disclosed
US-5028610-A Calcium Channel Blockers SANKYO COMPANY LIMITED (JP) 1991-07-02 US disclosed
EP-0283310-A1 N-Benzhydryl-substituted heterocyclic derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-09-21 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 HRH3 1275/4885ACHE 1285/4885SIGMAR1 409/4885

“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.