SCHEMBL22049337

SCHEMBL22049337

CC1(C)c2ccccc2-c2ccc(N(I)c3ccc(-c4ccccc4)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.41
▸ 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
▸ HTR2A P28223 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
SCHEMBL13432225 0.92 PDK2 (0.47) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL25159614 0.87 PDK2 (0.41) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL10819249 0.87 PDK2 (0.55) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL19735311 0.87 PDK2 (0.55) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL19627431 0.87 PDK2 (0.55) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL21386478 0.86 PDK2 (0.36) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL16922895 0.85 PDK2 (0.41) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL14188131 0.85 PDK2 (0.41) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL24904897 0.85 PDK2 (0.41) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL22182569 0.85 PDK2 (0.41) PDK2MLNRNR1I2CHRM2ADRB1

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 4 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
US-20230124929-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-04-20 — — US disclosed
EP-3428152-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-11-03 — — EP disclosed
WO-2020111140-A1 FUSED RING COMPOUND, PRODUCTION METHOD THEREFOR, AND ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL 東ソー株式会社 2020-06-04 — — WO 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-20230124929-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS EXOC1, RPS10, EXOSC10 PDK2 3622/4885MLNR 3138/4885NR1I2 690/4885
US-20230329092-A1 MATERIALS FOR ELECTRONIC DEVICES SOD1, GPX1, EFNA1 PDK2 319/4885MLNR 4831/4885NR1I2 2639/4885

“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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