SCHEMBL12374710

SCHEMBL12374710

CC1(Oc2cc(Br)ccc2OCc2cccc(C(F)(F)F)c2)CNC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 1.00
HTR2C P28335 2/20 0.61
HTR2B P41595 2/20 0.61
PTPN1 P18031 1/20 0.54
PTGER1 P34995 2/20 0.48
HTR6 P50406 2/20 0.47
HTR2A P28223 1/20 0.44

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
SCHEMBL2285332 0.84 SLC6A4 (1.00) SLC6A4HTR2CHTR2BHTR6HTR2A
SCHEMBL2283049 0.79 SLC6A4 (1.00) SLC6A4HTR2CHTR2BHTR6HTR2A
SCHEMBL12374707 0.78 SLC6A4 (1.00) SLC6A4HTR2CHTR2BHTR6
SCHEMBL2287447 0.76 SLC6A4 (1.00) SLC6A4HTR2CHTR2BPTPN1HTR6
SCHEMBL2288725 0.72 SLC6A4 (0.77) SLC6A4HTR2CHTR2BHTR6HTR2A
SCHEMBL2282959 0.71 SLC6A4 (1.00) SLC6A4HTR2CHTR2BHTR6HTR2A
SCHEMBL10090202 0.69 PTPN1 (0.82) SLC6A4PTPN1
SCHEMBL2065776 0.69 PTPN1 (0.82) SLC6A4PTPN1
SCHEMBL2065777 0.69 PTPN1 (0.82) SLC6A4PTPN1
SCHEMBL2282772 0.69 SLC6A4 (0.64) SLC6A4HTR2CHTR2BHTR6

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-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-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
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 (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-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A SLC6A4 19/4885HTR2C 1/4885HTR2B 5/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C SLC6A4 19/4885HTR2C 3/4885HTR2B 5/4885

“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.