SCHEMBL2285134

SCHEMBL2285134

Fc1ccc2c(c1)[CH]CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
ADRA2A P08913 1/20 0.36
KDM1A O60341 2/20 0.35
HTR2C P28335 2/20 0.34
HTR2A P28223 1/20 0.34
TYMS P04818 2/20 0.34
ACHE P22303 1/20 0.32
SRD5A1 P18405 1/20 0.32
HTR5A P47898 2/20 0.32
KMT2A Q03164 1/20 0.31
AHR P35869 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL3540396 0.87 KDM1A (0.39) PARP1PARP10ADRA2AKDM1AHTR2C
SCHEMBL2242735 0.82 NOTUM (0.33) PARP1PARP10ADRA2AKDM1AHTR2C
SCHEMBL30344009 0.78 KDM1A (0.37) PARP1PARP10ADRA2AKDM1AHTR2C
SCHEMBL7469508 0.73 CA2 (0.43) CA5ACA9
SCHEMBL2280630 0.73 HTR2A (0.42) PARP1PARP10ADRA2AKDM1AHTR2C
SCHEMBL2281882 0.73 PARP10 (0.36) PARP1PARP10TYMSACHEHTR5A
SCHEMBL7471390 0.73 MAPT (0.37) TYMSKMT2ACA9
SCHEMBL28441336 0.73 PNMT (0.39) PARP1PARP10ADRA2AKDM1AHTR2C
SCHEMBL2281632 0.72 PARP1 (0.41) PARP1PARP10HTR2CHTR2ANOTUM
SCHEMBL19926341 0.70 KDM1A (0.35) PARP1PARP10KDM1AACHESRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-18 US claimed
US-20140038943-A1 SEROTONIN RECEPTOR MODULATOR JANSSEN PHARMACEUTICA NV (US) 2014-02-06 US claimed
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-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
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 PARP1 1919/4885PARP10 721/4885ADRA2A 108/4885
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A PARP1 1884/4885PARP10 683/4885ADRA2A 117/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C PARP1 2387/4885PARP10 1379/4885ADRA2A 82/4885

“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.