SCHEMBL8213745

SCHEMBL8213745

NC[C@H]1CCc2cc(F)cc(-c3ccc(Cl)cc3Cl)c2O1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.78
DPP4 P27487 7/20 0.36
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34
DPP8 Q6V1X1 1/20 0.32
SLC6A4 P31645 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL14112729 1.00 AQP1 (0.78) AQP1DPP4PRKAB2PRKAG1PRKAA2
Hydrochloric Acid SCHEMBL4621416 0.99 AQP1 (0.77) AQP1DPP4PRKAB2PRKAG1PRKAA2
Hydrochloric Acid SCHEMBL4622518 0.99 AQP1 (0.77) AQP1DPP4PRKAB2PRKAG1PRKAA2
SCHEMBL8203894 0.91 AQP1 (0.64) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14112727 0.91 AQP1 (0.64) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
Hydrochloric Acid SCHEMBL4622022 0.90 AQP1 (0.67) AQP1DPP4PRKAB2PRKAG1PRKAA2
Hydrochloric Acid SCHEMBL4621220 0.89 AQP1 (0.63) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
Hydrochloric Acid SCHEMBL4620592 0.89 AQP1 (0.63) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8211565 0.89 AQP1 (0.61) AQP1DPP4PRKAB2PRKAG1PRKAA2
SCHEMBL4226215 0.88 AQP1 (1.00) AQP1DPP4PRKAB2PRKAG1PRKAA2

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 7 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

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 3318/4885DPP4 4258/4885PRKAB2 2692/4885
US-20080039639-A1 Chromane and chromene derivatives and uses thereof HTR1A, CHRM1, HTR2C AQP1 2983/4885DPP4 4248/4885PRKAB2 2951/4885

“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.