SCHEMBL4484307

SCHEMBL4484307

CN1CC[CH]CC1Cc1cc(-c2ccc3[nH]ccc3c2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 7/20 0.38
▸ KCNH2 Q12809 5/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ FASN P49327 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ CHRNA10 Q9GZZ6 1/20 0.34
▸ CHRNA9 Q9UGM1 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ GUSB P08236 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

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
SCHEMBL3707626 0.79 FASN (0.38) FASN
SCHEMBL3700050 0.73 MTOR (0.41) CHRNA7KCNH2NPC1FASNLRRK2
SCHEMBL3696684 0.69 SLC6A2 (0.46) KCNH2FASNLRRK2ABCB1CYP17A1
SCHEMBL3694082 0.67 MAP3K11 (0.46) KCNH2NPC1LRRK2ABCB1CYP17A1
SCHEMBL27711111 0.67 ABL1 (0.45) FASN
SCHEMBL13604838 0.67 MAPK1 (0.47) CHRNA7KCNH2FASNLRRK2ABCB1
SCHEMBL3705206 0.66 EPHX1 (0.43) —
SCHEMBL3694850 0.66 MAPK1 (0.43) CHRNA7KCNH2FASNLRRK2ABCB1
SCHEMBL3698318 0.64 MAPK1 (0.40) CHRNA7KCNH2FASNSLC6A2SLC6A4
SCHEMBL3694546 0.64 MAPK1 (0.37) CHRNA7KCNH2NPC1FASNLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — 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-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C CHRNA7 368/4885KCNH2 410/4885NPC1 1328/4885

“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.

Send feedback