SCHEMBL20116565

SCHEMBL20116565

Cc1ccc2c(C)nn(C(C)C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.44
▸ PDE1A P54750 5/20 0.41
▸ PDE1B Q01064 5/20 0.41
▸ PDE1C Q14123 5/20 0.41
▸ NR1I2 O75469 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ KHK P50053 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ PIK3CD O00329 1/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ ADORA2B P29275 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL16596067 0.82 GRM4 (0.43) GRM4PDE1APDE1BPDE1CKHK
SCHEMBL22156297 0.82 GRM4 (0.43) GRM4PDE1APDE1BPDE1CKHK
SCHEMBL17232694 0.82 GRM4 (0.43) GRM4PDE1APDE1BPDE1CKHK
SCHEMBL26373750 0.82 NR1I2 (0.38) GRM4PDE1APDE1BPDE1CNR1I2
SCHEMBL27051631 0.82 NR1I2 (0.38) GRM4PDE1APDE1BPDE1CNR1I2
SCHEMBL27051630 0.82 RET (0.38) GRM4PDE1APDE1BPDE1CNR1I2
SCHEMBL15723742 0.82 GRM4 (0.43) GRM4PDE1APDE1BPDE1CEGFR
SCHEMBL20117051 0.78 SYK (0.36) GRM4PDE1APDE1BPDE1CNR1I2
SCHEMBL15687457 0.78 SYK (0.43) GRM4PDE1APDE1BPDE1CEGFR
SCHEMBL20116947 0.78 NR1I2 (0.35) GRM4PDE1APDE1BPDE1CNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 — — US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 — — US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 — — WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 — — WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 — — 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 GRM4 166/4885PDE1A 1002/4885PDE1B 860/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 GRM4 166/4885PDE1A 1002/4885PDE1B 860/4885

“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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