SCHEMBL12312784

SCHEMBL12312784

CNC(=O)C1CN(C(C)(C)C)CCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 6/20 0.43
▸ SCN9A Q15858 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ ADRA1D P25100 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ GRIN2D O15399 2/20 0.31
▸ GRIN3B O60391 2/20 0.31
▸ THRB P10828 2/20 0.31
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2A Q12879 2/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ GRIN2C Q14957 2/20 0.31
▸ GRIN3A Q8TCU5 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 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
SCHEMBL12312782 0.85 CCR2 (0.42) CCR2ADRA1DADRA1AADRA1B
SCHEMBL12312783 0.83 CCR2 (0.43) CCR2ATMADRA1DADRA1AADRA1B
SCHEMBL12312791 0.81 CCR2 (0.43) CCR2ATMDPP4MAPT
SCHEMBL1938457 0.80 CCR2 (0.46) CCR2ATMDPP4ADRA1DADRA1A
SCHEMBL5695525 0.79 CCR2 (0.42) CCR2SCN9AATMMAPT
SCHEMBL18820343 0.79 CCR2 (0.42) CCR2SCN9AATMMAPT
SCHEMBL18806175 0.79 CCR2 (0.42) CCR2SCN9AATMMAPT
SCHEMBL19447676 0.79 GRIN2D (0.32) SCN9ADPP4GRIN2DGRIN3BTHRB
SCHEMBL15072877 0.77 CCR2 (0.40) CCR2GRIN2DGRIN3BTHRBGRIN1
SCHEMBL2920433 0.77 CCR2 (0.40) CCR2GRIN2DGRIN3BTHRBGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399681-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 — — US disclosed
US-8399681-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 — — US disclosed
US-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS BIGNAN GILLES (US) 2012-11-29 — — US disclosed
US-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS BIGNAN GILLES (US) 2012-11-29 — — US disclosed
US-8263781-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 — — US disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 — — 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-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R CCR2 2766/4885SCN9A 4703/4885ATM 573/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R CCR2 2766/4885SCN9A 4703/4885ATM 573/4885

“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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