SCHEMBL12545834

SCHEMBL12545834

CC(C)c1cccc(N2CCOC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.46
▸ DRD3 P35462 2/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ NOTUM Q6P988 2/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ GRM2 Q14416 1/20 0.42
▸ KDM1A O60341 2/20 0.41
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ KDM1B Q8NB78 2/20 0.41
▸ RCOR1 Q9UKL0 2/20 0.41
▸ IDH1 O75874 1/20 0.41
▸ SLC9A3 P48764 1/20 0.41
▸ HTR1A P08908 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ HTR6 P50406 1/20 0.39

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
SCHEMBL25709477 0.82 DRD2 (0.41) DRD2DRD3KCNH2NOTUMGRM2
SCHEMBL11994357 0.81 CCR6 (0.48) CCR6GRM2KDM1AMAOAMAOB
SCHEMBL30669238 0.80 HSD11B1 (0.55) DRD2DRD3GRM2MAOAMAOB
SCHEMBL10191867 0.80 HSD11B1 (0.55) DRD2DRD3GRM2MAOAMAOB
SCHEMBL10224168 0.79 DRD2 (0.47) DRD2DRD3KCNH2NOTUMGRM2
SCHEMBL1936882 0.78 DDB1 (0.51) DRD2DRD3KCNH2GRM2KDM1A
SCHEMBL19701984 0.77 PIK3CD (0.47) DRD2DRD3KCNH2NOTUMGRM2
SCHEMBL15036864 0.77 SLC9A3 (0.50) DRD2DRD3GRM2SLC9A3MAPT
SCHEMBL10224195 0.77 NOTUM (0.47) DRD2DRD3KCNH2NOTUMGRM2
SCHEMBL16321283 0.76 CYP3A4 (0.60) KDM1AMAOAMAOBKDM1BRCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 — — EP disclosed
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-11 — — US disclosed
WO-2019157458-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2019-08-15 — — WO disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 — — US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 — — US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 — — US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 — — US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 — — US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 — — 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 (3 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 DRD2 4867/4885DRD3 4858/4885KCNH2 2439/4885
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 DRD2 2265/4885DRD3 2453/4885KCNH2 4091/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 DRD2 4867/4885DRD3 4858/4885KCNH2 2439/4885

“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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