SCHEMBL19176853

SCHEMBL19176853

CCCC(C)(C)C(=O)NCc1ccnc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ RIPK1 Q13546 3/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ DRD4 P21917 3/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ AR P10275 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL19169718 0.89 CDK2 (0.38) SMORIPK1CDK2GSK3BAR
SCHEMBL20220957 0.89 RIPK1 (0.50) MEN1KMT2ARIPK1DRD2DRD4
SCHEMBL17447471 0.80 NAMPT (0.46) SMOMEN1KMT2ATDP1RIPK1
SCHEMBL19176885 0.78 ATM (0.48) MEN1KMT2ATDP1RIPK1AR
SCHEMBL31536403 0.78 SMN1; SMN2 (0.58) MEN1KMT2AL3MBTL1CYP1A2SMN1; SMN2
SCHEMBL17447491 0.73 RAB9A (0.55) SMOMEN1KMT2ATDP1RIPK1
SCHEMBL18997711 0.70 ALDH1A1 (0.44) DRD2DRD4L3MBTL1
SCHEMBL24489176 0.69 HDAC6 (0.58) SMOMEN1KMT2ATDP1RIPK1
SCHEMBL19176844 0.69 RIPK1 (0.76) RIPK1MMP8L3MBTL1SMN1; SMN2
SCHEMBL20417204 0.69 SMO (0.39) SMOMEN1KMT2ATDP1RIPK1

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 SMO 631/4885MEN1 4070/4885KMT2A 2875/4885

“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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