SCHEMBL16099088

SCHEMBL16099088

CCOC(=O)c1nn2c(c1Br)CN(C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ENPP2 Q13822 5/20 0.35
▸ ATXN2 Q99700 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ TSHR P16473 3/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ ABAT P80404 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ GAA P10253 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
SCHEMBL16099607 0.89 TACR1 (0.41) TACR1ALDH1A1MEN1KMT2AENPP2
SCHEMBL16093882 0.89 TACR1 (0.37) TACR1ALDH1A1ENPP2ATXN2CYP2D6
SCHEMBL16099909 0.85 TACR1 (0.42) TACR1ALDH1A1MEN1KMT2AENPP2
SCHEMBL16099435 0.84 TACR1 (0.44) TACR1ALDH1A1MEN1KMT2AENPP2
SCHEMBL16094402 0.81 TACR1 (0.42) TACR1ALDH1A1MEN1KMT2AENPP2
SCHEMBL16129883 0.81 TACR1 (0.38) TACR1ALDH1A1MEN1KMT2AENPP2
SCHEMBL16094360 0.80 ENPP2 (0.40) TACR1ALDH1A1MEN1KMT2AENPP2
SCHEMBL30793168 0.79 ADORA1 (0.42) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL29911282 0.78 L3MBTL1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL16099558 0.77 TACR1 (0.41) TACR1ALDH1A1MEN1KMT2AENPP2

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
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP claimed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO claimed
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
US-20150125422-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-05-07 — — US 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 (2 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-20150125422-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 TACR1 2176/4885ALDH1A1 421/4885MEN1 4761/4885
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 TACR1 662/4885ALDH1A1 4063/4885MEN1 687/4885

“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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