SCHEMBL2285248

SCHEMBL2285248

Cc1noc(COc2ccc(Cl)cc2OC2CN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GSTP1 P09211 2/20 0.42
SLC6A4 P31645 4/20 0.41
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNB3 P54284 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNG7 P62955 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNG1 Q06432 1/20 0.41
CACNB2 Q08289 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41

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
SCHEMBL2284479 0.79 RBP4 (0.53) SLC6A4CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL2283918 0.78 SLC6A4 (0.61) SLC6A4HTR6
SCHEMBL2281213 0.78 SMN1; SMN2 (0.45) SLC6A4CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL2279880 0.77 SLC6A4 (0.64) SLC6A4CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL2285124 0.77 SLC6A4 (0.55) SLC6A4CACNB4CACNA1ACACNA1GCACNG3
Hydrochloric Acid SCHEMBL2280283 0.77 SLC6A4 (0.60) SLC6A4HTR6
SCHEMBL24791780 0.76 RBP4 (0.43) NPC1RAB9ACACNB4CACNA1ACACNA1G
SCHEMBL30054785 0.76 RBP4 (0.43) NPC1RAB9ACACNB4CACNA1ACACNA1G
SCHEMBL2299437 0.75 RBP4 (0.54) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL2284074 0.75 RBP4 (0.43) SLC6A4CACNB4CACNA1ACACNA1GCACNG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981909-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-18 US disclosed
US-20140038943-A1 SEROTONIN RECEPTOR MODULATOR JANSSEN PHARMACEUTICA NV (US) 2014-02-06 US disclosed
US-8642583-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-02-04 US disclosed
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 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 (3 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-20140038943-A1 SEROTONIN RECEPTOR MODULATOR HTR2C, HTR2A, HTR1A NPC1 2766/4885RAB9A 2832/4885GSTP1 2489/4885
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A NPC1 2607/4885RAB9A 2710/4885GSTP1 2450/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C NPC1 2954/4885RAB9A 2710/4885GSTP1 2749/4885

“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.