SCHEMBL2288692

SCHEMBL2288692

O=Cc1cc(F)ccc1OCc1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.53
ENPP2 Q13822 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.50
CCR5 P51681 2/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
HCRTR1 O43613 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX12 P18054 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ADRA1D P25100 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL2284712 0.89 ENPP2 (0.54) SLC6A4ENPP2MRGPRX4CCR5CYP1A2
SCHEMBL7398748 0.86 ENPP2 (0.61) ENPP2CCR5CYP1A2CYP2C9CYP2C19
SCHEMBL7150434 0.85 MAOB (0.60) MAOAMAOB
SCHEMBL324826 0.84 CCNB2 (0.56) MRGPRX4KMT2AMAPT
SCHEMBL2284584 0.84 CCR5 (0.65) SLC6A4CCR5CYP1A2CYP2C9CYP2C19
SCHEMBL30679646 0.84 CCR5 (0.65) SLC6A4CCR5CYP1A2CYP2C9CYP2C19
SCHEMBL5465784 0.82 SLC6A4 (0.52) SLC6A4MRGPRX4CCR5CYP1A2CYP2C9
SCHEMBL17894466 0.82 ENPP2 (0.56) ENPP2MRGPRX4CYP1A2CYP2C9CYP2C19
SCHEMBL5631333 0.81 MAOA (0.51) CCR5ALDH1A1KMT2AMAPTMAOA
SCHEMBL1163495 0.80 MAOB (0.57) CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A

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 6 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
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 19/4885ENPP2 156/4885MRGPRX4 107/4885
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A SLC6A4 19/4885ENPP2 149/4885MRGPRX4 120/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C SLC6A4 19/4885ENPP2 196/4885MRGPRX4 143/4885

“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.