SCHEMBL19107358

SCHEMBL19107358

Cc1ccccc1C(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)OC2(CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ SCD5 Q86SK9 1/20 0.42
▸ ACACB O00763 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ SPR P35270 2/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ CYP11B2 P19099 1/20 0.39

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
SCHEMBL19107369 0.88 POLB (0.49) POLBSCD5MAPTIDO1TSHR
SCHEMBL17328258 0.88 PARP1 (0.47) POLBHTTSCD5IDO1TSHR
SCHEMBL19120395 0.87 HTT (0.48) POLBHTTSCD5MAPTTSHR
SCHEMBL19120304 0.85 GPR119 (0.44) POLBSCD5IDO1TSHRALOX15
SCHEMBL19107356 0.84 HPGD (0.46) POLBSCD5SPRIDO1HPGD
SCHEMBL18785466 0.81 MEN1 (0.49) SCD5ACACBTSHRALOX15ATM
SCHEMBL19107359 0.81 PARP1 (0.45) POLBHTTSCD5MAPTIDO1
SCHEMBL17328253 0.81 SCD5 (0.48) POLBSCD5TSHRALDH1A1CYP3A4
SCHEMBL17328248 0.80 EPHX2 (0.45) HTTSCD5SPRCYP2C9CYP2C19
SCHEMBL19107362 0.80 PIK3CA (0.44) GPR119PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 POLB 1747/4885HTT 4117/4885SCD5 2111/4885

“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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