SCHEMBL18324978

SCHEMBL18324978

CC(=O)N1CCC(c2n[nH]c3ncccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.52
▸ CYP1A2 P05177 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CREBBP Q92793 1/20 0.46
▸ JAK2 O60674 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ HSD11B1 P28845 3/20 0.43
▸ PDE10A Q9Y233 2/20 0.43
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ ROCK2 O75116 1/20 0.42

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
SCHEMBL21733021 0.81 PDK2 (0.47) GRM4CYP1A2JAK2JAK3CDK1
SCHEMBL12845955 0.80 ROCK1 (0.56) GRM4CYP1A2KDM4EBRD4ALDH1A1
SCHEMBL16801704 0.78 KDM4E (0.65) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL17935928 0.77 GRM4 (0.79) GRM4CYP1A2
SCHEMBL23153249 0.77 JAK2 (0.47) ALDH1A1POLBJAK2JAK3CDK9
SCHEMBL17857651 0.76 HTR1A (0.40) CYP1A2ALDH1A1JAK2JAK3CDK9
Hydrochloric Acid SCHEMBL17837567 0.74 HTR1A (0.40) CYP1A2ALDH1A1JAK2JAK3CDK9
Hydrochloric Acid SCHEMBL17837407 0.74 HTR1A (0.40) CYP1A2ALDH1A1JAK2JAK3CDK9
SCHEMBL17524924 0.74 DRD4 (0.38) CYP1A2ALDH1A1POLB
SCHEMBL13090626 0.73 HSD11B1 (0.72) KDM4EBRD4ALDH1A1POLBCREBBP

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
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 — — US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 — — 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-20160367564-A1 Pharmaceutical Compound TDO2, IDO1, IDO2 GRM4 430/4885CYP1A2 188/4885KDM4E 465/4885

“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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