SCHEMBL2285575

SCHEMBL2285575

CC(C)N1CC(Oc2cc(Cl)ccc2C(=O)c2ccc3c(c2)OCO3)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.53
GLRA3 O75311 1/20 0.48
GLRB P48167 1/20 0.48
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
LTC4S Q16873 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
SCHEMBL2281233 0.88 SLC6A4 (0.70) SLC6A4MAPTNPC1RAB9A
SCHEMBL2286702 0.82 SLC6A4 (0.77) SLC6A4MAPTMEN1KMT2ANPC1
SCHEMBL12374723 0.71 SLC6A4 (0.56) SLC6A4
SCHEMBL2280720 0.70 SLC6A4 (1.00) SLC6A4MAPTNPC1RAB9A
SCHEMBL2282679 0.69 SLC6A4 (0.69) SLC6A4
SCHEMBL18546949 0.68 SRD5A2 (0.73) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL20148734 0.67 HPGD (0.54) MEN1KMT2A
SCHEMBL2355435 0.67 SLC6A4 (0.49) SLC6A4
SCHEMBL2285264 0.66 SLC6A4 (0.55) SLC6A4
SCHEMBL12374726 0.65 SLC6A4 (0.63) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642583-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-02-04 US claimed
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US claimed
WO-2010059393-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 WO claimed
US-9981909-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
US-9981909-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
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-20160046574-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-18 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-8642583-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-02-04 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
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
WO-2010059393-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 WO disclosed
WO-2010059393-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 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 (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 SLC6A4 19/4885GLRA3 330/4885GLRB 180/4885
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A SLC6A4 19/4885GLRA3 317/4885GLRB 174/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C SLC6A4 19/4885GLRA3 421/4885GLRB 160/4885

“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.