SCHEMBL21208602

SCHEMBL21208602

C[C@@H]1CN(c2ccc3nc(C4CC4)c4cc5cc(F)ccc5n4c3n2)C[C@H](C)N1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 7/20 0.35
▸ PDE2A O00408 2/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ CDK4 P11802 2/20 0.31
▸ PRKCQ Q04759 1/20 0.31
▸ PRKCD Q05655 1/20 0.31
▸ CDK6 Q00534 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ SCN9A Q15858 1/20 0.31

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
SCHEMBL21208584 0.84 PDE10A (0.35) PDE10ADPP4DPP9DPP7PRKCQ
SCHEMBL21208585 0.83 PRKCQ (0.32) PRKCQPRKCDSCN9A
SCHEMBL21208605 0.81 PDE10A (0.40) PDE10APDE2APRKCQPRKCDSCN9A
SCHEMBL21208549 0.81 JAK2 (0.35) PRKCQPRKCD
SCHEMBL21208564 0.80 DPP4 (0.35) PDE10ADPP4DPP9DPP7CDK4
SCHEMBL23919774 0.79 IKBKB (0.35) PDE10ATHRB
SCHEMBL21208587 0.79 GPR6 (0.35) THRB
SCHEMBL21208550 0.77 THRB (0.37) PRKCQPRKCDTHRBSCN9A
SCHEMBL21208547 0.76 DAO (0.34) PRKCQPRKCDTHRBSCN9A
SCHEMBL21208495 0.76 — —

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-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-10-14 — — US disclosed
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2019-08-01 — — 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 (2 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-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PDE10A 1165/4885PDE2A 1191/4885DPP4 2994/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 PDE10A 1580/4885PDE2A 1732/4885DPP4 3465/4885

“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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