SCHEMBL21397315

SCHEMBL21397315

CCCN1CC[C@H](C(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.40
DRD3 P35462 2/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL15837588 1.00 DRD2 (0.40) DRD2DRD3DRD1DRD4DRD5
SCHEMBL16980431 1.00 DRD2 (0.40) DRD2DRD3DRD1DRD4DRD5
SCHEMBL14519147 0.90 DRD2 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL14519156 0.88 DRD2 (0.42) DRD2DRD3DRD1DRD4DRD5
SCHEMBL14685578 0.88 GNAI3 (0.43) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4762635 0.86 DRD2 (0.46) DRD2
SCHEMBL18664107 0.85 ARG1 (0.34) DRD2SIGMAR1
SCHEMBL12039804 0.85 ARG1 (0.34) DRD2SIGMAR1
SCHEMBL16980432 0.84 GBA1 (0.39) DRD2DRD3DRD1DRD4DRD5
SCHEMBL21227404 0.83 ESR1 (0.31)

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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK17 DRD2 4726/4885DRD3 4513/4885DRD1 4369/4885

“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.