SCHEMBL19107364

SCHEMBL19107364

CC1CN(C(=O)c2cc(F)ccc2F)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.43
▸ TNKS O95271 3/20 0.43
▸ TNKS2 Q9H2K2 3/20 0.43
▸ MAPT P10636 2/20 0.41
▸ GPR119 Q8TDV5 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ POLB P06746 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 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
SCHEMBL19107367 0.93 CPS1 (0.42) PARP1TNKSTNKS2MAPTGPR119
SCHEMBL17328219 0.89 EPHX2 (0.43) PARP1TNKSTNKS2MAPTGPR119
SCHEMBL19107366 0.89 EPHX2 (0.43) PARP1TNKSTNKS2MAPTGPR119
SCHEMBL19096884 0.86 CNR1 (0.41) MAPTLMNA
SCHEMBL19107357 0.85 PARP1 (0.47) PARP1TNKSTNKS2MAPTGPR119
SCHEMBL20058330 0.85 HPGD (0.42) PARP1TNKSTNKS2MAPTGPR119
SCHEMBL19107365 0.85 MAPK1 (0.46) SMN1; SMN2LMNA
SCHEMBL17328247 0.83 EPHX2 (0.42) GPR119LMNA
SCHEMBL19107368 0.81 POLB (0.45) MAPTLMNAPOLBTP53THRB
SCHEMBL17328224 0.80 KMT2A (0.46) GPR119SMN1; SMN2

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
EP-3149005-B1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE LABOR DR (ES) 2018-04-18 — — EP disclosed
US-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-07-13 — — US disclosed
US-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-07-13 — — US 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-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRM1 PARP1 2078/4885TNKS 3507/4885TNKS2 3865/4885

“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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