SCHEMBL2617033

SCHEMBL2617033

CCC(C)(C)N1CCc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
RIPK1 Q13546 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 3/20 0.43
TAAR1 Q96RJ0 3/20 0.43
LMNA P02545 1/20 0.43
NOTUM Q6P988 1/20 0.42
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PHGDH O43175 1/20 0.41
MGLL Q99685 1/20 0.41
EED O75530 1/20 0.41
CARM1 Q86X55 1/20 0.41
GRIN2D O15399 1/20 0.40

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
SCHEMBL19651870 0.91 MAOA (0.45) MAOAMAOBRIPK1SMN1; SMN2NPSR1
SCHEMBL20609581 0.87 RIPK1 (0.41) MAOAMAOBRIPK1SMN1; SMN2NPSR1
SCHEMBL25136802 0.86 MAOA (0.47) MAOAMAOBRIPK1SMN1; SMN2NPSR1
SCHEMBL4666005 0.84 MAOA (0.48) MAOAMAOBRIPK1MAPTTAAR1
SCHEMBL19955090 0.81 MAOA (0.46) MAOAMAOBRIPK1MAPTTAAR1
SCHEMBL861951 0.81 MAOA (0.57) MAOAMAOBRIPK1SMN1; SMN2MAPT
SCHEMBL25522265 0.80 SIGMAR1 (0.42) SMN1; SMN2NPSR1EED
SCHEMBL20078475 0.79 MAOA (0.55) MAOAMAOBRIPK1SMN1; SMN2NPSR1
SCHEMBL25856118 0.79 NR1H2 (0.49) SMN1; SMN2NPSR1MAPTTAAR1DRD2
SCHEMBL23032152 0.77 MAOA (0.41) MAOAMAOBRIPK1MAPTTAAR1

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
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2023-07-18 US disclosed
US-20230174484-A1 ANTAGONISTS OF GPR39 PROTEIN UNIV OREGON HEALTH & SCIENCE (US) 2023-06-08 US disclosed
US-20220153688-A1 HYDRAZONE AMIDE DERIVATIVES AND USE THEREOF IN PREPARATION OF ANTI-OSTEOPOROSIS DRUGS SHENZHEN CELL INSPIRE PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2022-05-19 US disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-20120100104-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-26 US disclosed
US-20090247512-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-10-01 US disclosed
US-20080085893-A1 MATRIX METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-10 US disclosed
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 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 (8 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-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B MAOA 1464/4885MAOB 1475/4885RIPK1 1882/4885
US-20120100104-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 MAOA 1548/4885MAOB 1214/4885RIPK1 1518/4885
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists PTPN5, PTPN1, PTPN2 MAOA 4830/4885MAOB 4778/4885RIPK1 885/4885
US-20230174484-A1 ANTAGONISTS OF GPR39 PROTEIN GPR39, GPR139, GPR119 MAOA 4025/4885MAOB 4110/4885RIPK1 2239/4885
US-20080085893-A1 MATRIX METALLOPROTEASE INHIBITORS MMP3, MMP7, MMP9 MAOA 280/4885MAOB 292/4885RIPK1 4270/4885
US-20220153688-A1 HYDRAZONE AMIDE DERIVATIVES AND USE THEREOF IN PREPARATION OF ANTI-OSTEOPOROSIS DRUGS SOST, HDAC5, PTH1R MAOA 1303/4885MAOB 1387/4885RIPK1 3773/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 MAOA 4110/4885MAOB 3163/4885RIPK1 2831/4885
US-20090247512-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP2B6, HCCS MAOA 981/4885MAOB 637/4885RIPK1 927/4885

“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.