SCHEMBL19176733

SCHEMBL19176733

CCCCNC(=O)Cc1ccon1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.57
▸ HPGD P15428 3/20 0.51
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ HDAC4 P56524 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HTT P42858 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL22161583 0.91 ATM (0.46) ATMHPGDALDH1A1TSHRGAA
SCHEMBL17447474 0.84 ATM (0.41) ATMHPGDALDH1A1HTTCYP2C19
SCHEMBL19176672 0.84 ATM (0.41) ATMHPGDHDAC4HDAC6TRPV1
SCHEMBL22268003 0.81 POLB (0.45) HPGDALDH1A1HTTCYP2C19GAA
SCHEMBL19177105 0.78 CCNE1 (0.36) ATMHPGDALDH1A1HTTCYP3A4
SCHEMBL22310669 0.77 NTRK1 (0.39) ATMHDAC4ALDH1A1
SCHEMBL7451736 0.76 SMN1; SMN2 (0.44) ATMHDAC4HDAC6ALDH1A1TSHR
SCHEMBL17594367 0.75 ATM (0.60) ATMHPGDALDH1A1TSHRHTT
SCHEMBL2824302 0.74 CYP1A2 (0.45) CYP1A2CYP3A4KDM4E
SCHEMBL6360498 0.73 SMN1; SMN2 (0.57) HPGDCA1CA2TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 — — EP disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 — — 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-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 ATM 4852/4885HPGD 3237/4885CA1 4275/4885

“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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