SCHEMBL4730904

SCHEMBL4730904

O=C(CCl)C1CCc2ccccc2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.52
MTNR1A P48039 4/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HTR1A P08908 4/20 0.46
HTR2A P28223 4/20 0.46
DRD3 P35462 4/20 0.46
MTNR1B P49286 1/20 0.42
HTR2C P28335 2/20 0.41
DRD2 P14416 1/20 0.41
F2 P00734 2/20 0.41
MASP2 O00187 1/20 0.41
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.37
MITF O75030 1/20 0.37
RAB9A P51151 1/20 0.37
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36

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
SCHEMBL1545216 0.84 SMYD3 (0.52) SMYD3MTNR1AGAAMAPTHTR1A
SCHEMBL4734530 0.84 SMYD3 (0.56) SMYD3MTNR1AGAAMAPTHTR1A
SCHEMBL6206546 0.82 SMYD3 (0.56) SMYD3MTNR1AGAAMAPTHTR1A
SCHEMBL4019694 0.82 SMYD3 (0.58) SMYD3MTNR1AGAAMAPTHTR1A
SCHEMBL30076005 0.81 SMYD3 (0.55) SMYD3MTNR1AGAAMAPTHTR1A
SCHEMBL1150614 0.80 GAA (0.69) SMYD3MTNR1AGAAMAPTHTR1A
SCHEMBL1531662 0.80 GAA (0.69) SMYD3MTNR1AGAAMAPTHTR1A
SCHEMBL444953 0.80 GAA (0.69) SMYD3MTNR1AGAAMAPTHTR1A
SCHEMBL29831598 0.80 GAA (0.69) SMYD3MTNR1AGAAMAPTHTR1A
SCHEMBL5034406 0.80 SMYD3 (0.51) SMYD3MTNR1AGAAMAPTHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170020858-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC (US) 2017-01-26 US disclosed
WO-2008060626-A9 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC (US) 2008-07-31 WO disclosed
WO-2008060626-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2008-05-22 WO disclosed
EP-1888575-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION Hydra Biosciences, Inc. (US) 2008-02-20 EP disclosed
WO-2006122156-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2006-11-16 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 (1 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-20170020858-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION TRPV3, TRPV1, TRPV4 SMYD3 2298/4885MTNR1A 185/4885GAA 3515/4885

“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.