SCHEMBL1689686

SCHEMBL1689686

O=C(c1ccnc(Cl)c1)N1CC2(CCN(OC(=O)C(F)(F)F)CC2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NOTUM Q6P988 2/20 0.38
PROKR1 Q8TCW9 1/20 0.35
CYP2D6 P10635 1/20 0.35
LTA4H P09960 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
SCHEMBL1689600 0.82 HDAC1 (0.51) HDAC1HDAC6NOTUM
Trifluoroacetic Acid SCHEMBL1689684 0.81 HDAC1 (0.42) HDAC1HDAC6NOTUMCYP2D6
SCHEMBL10253494 0.80 NOTUM (0.44) HDAC1HDAC6NOTUMCYP2D6
SCHEMBL1689945 0.75 HDAC1 (0.49) HDAC1HDAC6
SCHEMBL1689938 0.75 HDAC1 (0.49) HDAC1HDAC6
SCHEMBL10253695 0.74 HDAC1 (0.45) HDAC1HDAC6
SCHEMBL2351817 0.73 HDAC1 (0.40) HDAC1HDAC6
SCHEMBL2347648 0.72 NOTUM (0.46) HDAC1HDAC6NOTUMPROKR1
SCHEMBL4151601 0.71 HDAC1 (0.43) HDAC1HDAC6PROKR1CYP2D6
SCHEMBL4151596 0.71 HDAC1 (0.43) HDAC1HDAC6PROKR1CYP2D6

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
EP-1515969-B2 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2017-10-11 EP disclosed
EP-1880996-B1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2014-12-24 EP disclosed
US-20120010220-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2012-01-12 US disclosed
EP-1515969-B1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2010-08-25 EP disclosed
EP-1880996-A1 Spiroindolinepiperidine derivatives Syngenta Limited (GB) 2008-01-23 EP 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-20120010220-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES RECQL, OPRD1, SKP1 HDAC1 620/4885HDAC6 117/4885NOTUM 3004/4885

“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.