SCHEMBL21416352

SCHEMBL21416352

CC1(C)c2ccccc2-c2ccc(N(N)c3ccccc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.43
▸ HTR2A P28223 2/20 0.36
▸ MLNR O43193 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ OPRM1 P35372 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
SCHEMBL12703005 0.95 PDK2 (0.43) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL17886997 0.92 PDK2 (0.39) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL21787751 0.92 PDK2 (0.39) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL24177613 0.91 PDK2 (0.38) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL24177579 0.90 PDK2 (0.40) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL21973024 0.89 PDK2 (0.42) PDK2
SCHEMBL21787896 0.89 PDK2 (0.39) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL21787832 0.88 PDK2 (0.37) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL24177614 0.88 PDK2 (0.38) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL21763412 0.87 MEN1 (0.41) PDK2HTR2AMLNRNR1I2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230329092-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-10-12 — — US disclosed
EP-3428149-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2021-07-28 — — EP disclosed
EP-3221292-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-10-02 — — EP 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-20230329092-A1 MATERIALS FOR ELECTRONIC DEVICES SOD1, GPX1, EFNA1 PDK2 319/4885HTR2A 4103/4885MLNR 4831/4885

“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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