SCHEMBL16100257

SCHEMBL16100257

CCOC(=O)c1cc2n(n1)CCCN(C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RHOA P61586 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33

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
SCHEMBL16094151 0.88 TACR1 (0.38) ALDH1A1SMN1; SMN2TACR1KMT2ACYP2D6
SCHEMBL16100249 0.86 MEN1 (0.37) HRH3SMN1; SMN2KMT2ACHRNB2CHRNB4
SCHEMBL16094402 0.86 TACR1 (0.42) ALDH1A1SMN1; SMN2TACR1KMT2ACYP2D6
SCHEMBL16129709 0.85 HPGD (0.39) ALDH1A1SMN1; SMN2KMT2ATSHRMEN1
SCHEMBL16099794 0.84 BTK (0.35) ALDH1A1TACR1KMT2ARHOAMC4R
SCHEMBL16093927 0.84 ALDH1A1 (0.38) ALDH1A1TACR1KMT2ACYP3A4CYP2D6
SCHEMBL16129819 0.82 ENPP2 (0.41) ALDH1A1SMN1; SMN2TACR1KMT2ATSHR
SCHEMBL16099642 0.81 TACR1 (0.39) ALDH1A1SMN1; SMN2TACR1KMT2AMEN1
SCHEMBL16102646 0.80 ENPP2 (0.42) ALDH1A1SMN1; SMN2TACR1KMT2AMEN1
SCHEMBL16100235 0.80 TACR1 (0.46) ALDH1A1SMN1; SMN2TACR1KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — US disclosed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — 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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 HRH3 835/4885L3MBTL1 4586/4885ALDH1A1 4063/4885

“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.

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