SCHEMBL16268938

SCHEMBL16268938

CCOC(=O)/C=C/c1cccc2c1CCNC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ TTR P02766 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CD44 P16070 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
Hydrochloric Acid SCHEMBL16268936 0.99 CA12 (0.43) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL16268939 0.99 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL11813691 0.82 L3MBTL1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL11813693 0.82 L3MBTL1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL15052282 0.79 ALDH1A1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL20944698 0.76 TSHR (0.50) CA12CA1CA2CA7CA9
SCHEMBL30745013 0.76 TSHR (0.50) CA12CA1CA2CA7CA9
SCHEMBL10783189 0.73 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL14276451 0.73 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL25496472 0.73 LMNA (0.57) CA12CA7CA9CA14ALDH1A1

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-9920010-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-20 — — US disclosed
EP-3004082-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-02 — — EP disclosed
US-20160107997-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2016-04-21 — — US disclosed
EP-3004082-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2016-04-13 — — EP disclosed
WO-2014191929-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-04 — — 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-20160107997-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 CA12 4103/4885CA1 3654/4885CA2 2738/4885

“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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