SCHEMBL4933477

SCHEMBL4933477

COc1ccc(-c2cc(F)cc3c2O[C@@H](CN)CC3)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.47
CYP26A1 O43174 1/20 0.38
CYP24A1 Q07973 1/20 0.38
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
MAOB P27338 3/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
FFAR1 O14842 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL4927505 0.90 CYP24A1 (0.39) AQP1CYP26A1CYP24A1MAOBFFAR1
SCHEMBL8211146 0.89 AQP1 (0.45) AQP1MAOBPRKAB2PRKAG1PRKAA2
SCHEMBL8213934 0.89 AQP1 (0.58) AQP1CYP26A1CYP24A1SLC6A2SLC6A4
SCHEMBL8211005 0.87 AQP1 (0.43) AQP1CYP26A1CYP24A1SLC6A2SLC6A4
SCHEMBL8210643 0.86 AQP1 (0.50) AQP1SLC6A2SLC6A4SLC6A3MAOB
SCHEMBL8211143 0.84 PRKAB2 (0.46) CYP26A1CYP24A1SLC6A2SLC6A4SLC6A3
SCHEMBL8210691 0.83 AQP1 (0.47) AQP1SLC6A2SLC6A4SLC6A3PRKAB2
SCHEMBL14112721 0.82 AQP1 (0.48) AQP1SLC6A2SLC6A4SLC6A3PRKAB2
SCHEMBL8212152 0.82 AQP1 (0.48) AQP1SLC6A2SLC6A4SLC6A3PRKAB2
SCHEMBL8210970 0.82 SLC6A2 (0.49) AQP1SLC6A2SLC6A4SLC6A3PRKAB2

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
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
WO-2008052088-A1 CHROMANE DERIVATIVES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO WYETH (US) 2008-05-02 WO disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 US disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 US disclosed
US-20080039639-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-02-14 US disclosed
US-20080039639-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-02-14 US disclosed
US-20080039639-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-02-14 US disclosed
WO-2006116165-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO 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 (2 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-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 AQP1 3318/4885CYP26A1 443/4885CYP24A1 561/4885
US-20080039639-A1 Chromane and chromene derivatives and uses thereof HTR1A, CHRM1, HTR2C AQP1 2983/4885CYP26A1 358/4885CYP24A1 492/4885

“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.