SCHEMBL1908331

SCHEMBL1908331

O=C(c1cc[c]cc1)N1CC2CC1CO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.44
JAK1 P23458 1/20 0.44
HTR2C P28335 1/20 0.43
CNR2 P34972 2/20 0.41
LRRK2 Q5S007 3/20 0.40
DGAT2 Q96PD7 1/20 0.40
GABRA1 P14867 1/20 0.37
PRMT5 O14744 2/20 0.36
RET P07949 1/20 0.36
KIF5B P33176 1/20 0.36
KDR P35968 1/20 0.36
ETV6 P41212 1/20 0.36
KCNH2 Q12809 1/20 0.36
CCDC6 Q16204 1/20 0.36
VNN1 O95497 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PDE7B Q9NP56 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
SCN9A Q15858 2/20 0.32
SCN10A Q9Y5Y9 1/20 0.32

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
SCHEMBL548613 0.73 GRIA3 (0.50) JAK2JAK1HTR2CCNR2LRRK2
SCHEMBL15652379 0.71 LRRK2 (0.55) JAK2JAK1LRRK2DGAT2PRMT5
SCHEMBL9996763 0.71 LRRK2 (0.55) JAK2JAK1HTR2CLRRK2DGAT2
SCHEMBL20448663 0.70 MAP3K12 (0.39)
SCHEMBL15399575 0.70 HTR2C (0.38) JAK2JAK1HTR2CCNR2LRRK2
SCHEMBL5045861 0.70 HTR2C (0.38) JAK2JAK1HTR2CCNR2LRRK2
SCHEMBL4103692 0.70 HTR2C (0.38) JAK2JAK1HTR2CCNR2LRRK2
SCHEMBL5779223 0.70 HTR2C (0.38) JAK2JAK1HTR2CCNR2LRRK2
SCHEMBL23329415 0.69 VNN1 (0.41) JAK2JAK1DGAT2VNN1L3MBTL1
SCHEMBL18478944 0.69 HTR2C (0.37) JAK2JAK1HTR2CCNR2LRRK2

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-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 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 (1 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 JAK2 232/4885JAK1 510/4885HTR2C 4044/4885

“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.