SCHEMBL14002176

SCHEMBL14002176

Cc1cccc(C2(C)SCCS2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.42
▸ CHRNA1 P02708 1/20 0.41
▸ CHRNG P07510 1/20 0.41
▸ CHRNB1 P11230 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ CHRND Q07001 1/20 0.41
▸ HTR2C P28335 2/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ FRK P42685 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ NEK4 P51957 1/20 0.38

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
SCHEMBL27009309 0.77 CYP26B1 (0.40) ACHECHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL11640241 0.76 BACE1 (0.44) LMNAOPRM1OPRK1OPRL1ALDH1A1
SCHEMBL2084258 0.74 MAOB (0.39) ACHECHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL27579512 0.72 HTR2C (0.37) ACHECHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL30717245 0.69 CHRNA1 (0.53) ACHECHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL8064830 0.68 BACE1 (0.42) SLC6A2SLC6A3LMNAOPRM1OPRK1
SCHEMBL17028535 0.68 ACHE (0.48) ACHECHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL23714594 0.68 CHRNA1 (0.47) ACHECHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL3786132 0.68 SMN1; SMN2 (0.55) ACHECHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL16029802 0.68 HDAC4 (0.50) ACHECHRNA1CHRNGCHRNB1CHRNB2

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
US-7446229-B2 Bicyclic cannabinoids UNIVERSITY OF CONNECTICUT (US) 2008-11-04 — — US disclosed
US-7446229-B2 Bicyclic cannabinoids UNIVERSITY OF CONNECTICUT (US) 2008-11-04 — — US disclosed
US-20070135388-A1 Novel Bicyclic Cannabinoids UNIVERSITY OF CONNECTICUT 2007-06-14 — — US disclosed
US-20070135388-A1 Novel Bicyclic Cannabinoids UNIVERSITY OF CONNECTICUT 2007-06-14 — — 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-20070135388-A1 Novel Bicyclic Cannabinoids CNR2, CNR1, GPR18 ACHE 1302/4885CHRNA1 217/4885CHRNG 399/4885

“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