SCHEMBL3652178

SCHEMBL3652178

CC1(N2CCOCC2)CCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MGLL Q99685 1/20 0.35
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3756826 1.00 ALDH1A1 (0.38) ALDH1A1MGLLLMNAGAAKDM4E
SCHEMBL1515242 0.98 ALDH1A1 (0.39) ALDH1A1MGLLLMNAGAAKDM4E
SCHEMBL9275287 0.93 ALDH1A1 (0.39) ALDH1A1MGLLGAAKDM4EL3MBTL1
SCHEMBL14079963 0.87 ALDH1A1 (0.41) ALDH1A1MGLLGAAKDM4EL3MBTL1
SCHEMBL14080010 0.85 ALDH1A1 (0.40) ALDH1A1MGLLGAAKDM4EL3MBTL1
SCHEMBL24176104 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL633802 0.79 GRIN1 (0.37) OPRM1OPRL1MEN1KMT2APIK3CD
SCHEMBL6496554 0.79 GRIN1 (0.37) OPRM1OPRL1MEN1KMT2APIK3CD
SCHEMBL1515302 0.79 GRIN1 (0.37) OPRM1OPRL1MEN1KMT2APIK3CD
SCHEMBL13300994 0.79 GRIN1 (0.37) OPRM1OPRL1MEN1KMT2APIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178375-B1 PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8461162-B2 Pyrazolo[1,5-a]pyrimidine derivatives MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME LLC 2010-12-02 US disclosed
EP-2178375-A1 PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2010-04-28 EP disclosed
WO-2009014620-A1 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES MERCK & CO., INC. (US) 2009-01-29 WO disclosed
US-20080200433-A1 Molecular Chaperone Function Regulator MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20080200433-A1 Molecular Chaperone Function Regulator MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20070265260-A1 Quinazoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-11-15 US disclosed
US-20070265260-A1 Quinazoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-11-15 US disclosed
US-7294629-B2 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-11-13 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-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MAPT, TTBK1, TTBK2 ALDH1A1 3599/4885MGLL 4867/4885LMNA 2976/4885
US-20070265260-A1 Quinazoline derivatives TYK2, ROR1, JAK1 ALDH1A1 3381/4885MGLL 3289/4885LMNA 2908/4885
US-20080200433-A1 Molecular Chaperone Function Regulator HSPBP1, HSF1, HSPH1 ALDH1A1 2634/4885MGLL 3395/4885LMNA 3831/4885

“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.