SCHEMBL2282269

SCHEMBL2282269

O=C(N1CC(Cc2cc(Br)ccc2O)C1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
GFER P55789 1/20 0.40
FAAH O00519 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
HPGD P15428 2/20 0.35
CYP3A4 P08684 1/20 0.35
PKM P14618 1/20 0.35
HIF1A Q16665 1/20 0.35
HTT P42858 1/20 0.35
ESR1 P03372 4/20 0.35
ESR2 Q92731 4/20 0.35
ABHD6 Q9BV23 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL2285309 0.83 CCR5 (0.45) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL2280448 0.73 SLC6A4 (0.68)
SCHEMBL5769218 0.69 ESR1 (0.40) HPGDESR1ESR2ABHD6
SCHEMBL31512129 0.69 ESR1 (0.40) ALDH1A1HPGDESR1ESR2ABHD6
SCHEMBL2282246 0.68 CYP2D6 (0.45) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL20030972 0.68 USP30 (0.53) IDO1
SCHEMBL18321550 0.66 CCR3 (0.49) MEN1KMT2AFAAHCYP2C9CYP2C19
SCHEMBL28145390 0.66 ALDH1A1 (0.51) TSHRGFERFAAHALDH1A1KDM4E
SCHEMBL30074461 0.65 USP30 (0.51) IDO1
SCHEMBL27171920 0.65 USP30 (0.51) IDO1

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 15 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-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-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 MEN1 2847/4885KMT2A 3440/4885TSHR 276/4885
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A MEN1 2903/4885KMT2A 3497/4885TSHR 276/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C MEN1 2395/4885KMT2A 3983/4885TSHR 278/4885

“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.