SCHEMBL4154204

SCHEMBL4154204

NC(=O)C1(COCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.49
TSHR P16473 1/20 0.45
SLC1A1 P43005 3/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PARP10 Q53GL7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL21496636 0.86 TACR1 (0.51) TACR1TSHRSLC1A1SLC1A3SLC1A2
SCHEMBL4161505 0.84 ALDH1A1 (0.43) TSHRSLC1A1SLC1A3SLC1A2CYP2C19
SCHEMBL21501012 0.81 TACR1 (0.47) TACR1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL15105750 0.80 TACR1 (0.46) TACR1TSHRKMT2AALDH1A1MAPK1
SCHEMBL8000886 0.79 TSHR (0.48) TACR1TSHRSLC1A1SLC1A3SLC1A2
SCHEMBL2435076 0.79 TACR1 (0.48) TACR1TSHRCYP2C19KMT2AALDH1A1
SCHEMBL27498738 0.78 LMNA (0.49) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL2469547 0.77 MAOA (0.50) TSHRCYP2D6SMN1; SMN2ALDH1A1SLC6A2
SCHEMBL30589493 0.77 MAOA (0.50) TSHRCYP2D6SMN1; SMN2ALDH1A1SLC6A2
SCHEMBL22835511 0.76 TACR1 (0.46) TACR1TSHRALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B TACR1 2353/4885TSHR 814/4885SLC1A1 3664/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B TACR1 2747/4885TSHR 992/4885SLC1A1 3697/4885

“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.