SCHEMBL12491969

SCHEMBL12491969

O=C(O)c1ccc(C2(OC(=O)c3ccccc3)COC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ F2 P00734 1/20 0.43
▸ TSHR P16473 3/20 0.42
▸ DAO P14920 1/20 0.42
▸ NAPRT Q6XQN6 1/20 0.42
▸ SRD5A2 P31213 2/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ PKM P14618 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL24529910 0.78 CA1 (0.44) TSHRSRD5A2PKMGAATP53
SCHEMBL4580283 0.77 AKR1C1 (0.42) LMNAF2TSHRDAONAPRT
SCHEMBL10608672 0.75 LMNA (0.38) LMNAF2TSHRKMT2ASMN1; SMN2
SCHEMBL25363129 0.74 TSHR (0.46) TSHRDAONAPRTSRD5A2CES2
SCHEMBL10687586 0.72 LMNA (0.50) LMNAF2TSHRCYP2C9TDP1
SCHEMBL28953263 0.72 LMNA (0.41) LMNAF2TSHRCES2CES1
SCHEMBL15661299 0.72 TP53 (0.46) TSHRSRD5A2TP53KMT2ASMN1; SMN2
SCHEMBL4580279 0.71 AKR1C1 (0.46) LMNAF2CYP2C9TDP1KMT2A
SCHEMBL27593585 0.71 LMNA (0.48) LMNAF2TSHRCYP2C9TDP1
Benzoyl Peroxide SCHEMBL2494185 0.70 LMNA (0.85) LMNAF2TSHRDAONAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2686325-B1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-12-14 — — EP disclosed
US-9181273-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-10 — — US disclosed
US-20150025073-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-01-22 — — US disclosed
US-8828996-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-09 — — US disclosed
EP-2686325-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2014-01-22 — — EP disclosed
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-10-18 — — US disclosed
WO-2012125613-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 — — 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-20150025073-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 LMNA 2005/4885F2 4815/4885TSHR 2248/4885
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 LMNA 2005/4885F2 4815/4885TSHR 2248/4885

“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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