SCHEMBL625603

SCHEMBL625603

N#CC1(c2ccc(OC(F)(F)F)cc2)CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ABL1 P00519 1/20 0.45
SCD O00767 1/20 0.44
SLC6A4 P31645 9/20 0.40
SLC6A3 Q01959 6/20 0.40
SLC6A2 P23975 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KIT P10721 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL2537204 0.89 MEN1 (0.56) MEN1KMT2ASCDSLC6A4SLC6A3
SCHEMBL2832384 0.86 MEN1 (0.54) MEN1KMT2AABL1SCDSLC6A4
SCHEMBL624690 0.86 MEN1 (0.54) MEN1KMT2AABL1SCDSLC6A4
SCHEMBL3518597 0.84 MEN1 (0.53) MEN1KMT2AABL1SCDSLC6A4
SCHEMBL22816520 0.84 MEN1 (0.48) MEN1KMT2AABL1SCDSLC6A4
SCHEMBL625120 0.83 KMT2A (0.47) MEN1KMT2AABL1CTSSCTSK
SCHEMBL19627312 0.82 MEN1 (0.51) MEN1KMT2ASCDSLC6A4SLC6A3
SCHEMBL2291542 0.81 MEN1 (0.53) MEN1KMT2ASCDSLC6A4SLC6A3
Hydrochloric Acid SCHEMBL28122539 0.81 MEN1 (0.50) MEN1KMT2ASCDSLC6A4SLC6A3
SCHEMBL627580 0.80 MAP3K12 (0.44) SCDSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 MEN1 4188/4885KMT2A 4568/4885ABL1 4644/4885

“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.