SCHEMBL5897472

SCHEMBL5897472

CC1(c2ccccc2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
GRIN1 Q05586 4/20 0.43
GRIN2A Q12879 4/20 0.43
SLC6A4 P31645 2/20 0.43
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
LMNA P02545 2/20 0.43
OPRK1 P41145 1/20 0.43
OPRM1 P35372 1/20 0.43
CACNA1C Q13936 1/20 0.43
HDAC4 P56524 2/20 0.43
TSHR P16473 1/20 0.41
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KDM1A O60341 1/20 0.35
PGR P06401 1/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL15621614 0.91 GRIN1 (0.49) TAAR1GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL15621613 0.91 GRIN1 (0.45) TAAR1GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL14685888 0.89 GRIN1 (0.47) TAAR1GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL655089 0.86 GRIN1 (0.42) TAAR1GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL6552316 0.82 HTR2A (0.39) LMNAOPRK1OPRM1KDM1A
SCHEMBL18203009 0.79 KDM1A (0.35) TAAR1GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL27588874 0.79 HDAC4 (0.38) TAAR1GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL11993802 0.78 HDAC4 (0.44) TAAR1GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL655743 0.77 SIGMAR1 (0.53) TSHRALDH1A1TP53
SCHEMBL20990965 0.74 HDAC4 (0.36) TAAR1GRIN1GRIN2ASLC6A4GRIN2D

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-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
WO-2023125846-A1 COMPOUND FOR PREVENTING AND TREATING CORONAVIRUS INFECTION, CONJUGATE THEREOF AND METHOD THEREFOR 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20060040933-A1 Nonsteroidal antiinflammatory agents JAROCH STEFAN 2006-02-23 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 (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-20060040933-A1 Nonsteroidal antiinflammatory agents PTGES, PTGES2, PTGS1 TAAR1 1180/4885GRIN1 880/4885GRIN2A 874/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS TAAR1 4726/4885GRIN1 4534/4885GRIN2A 4694/4885

“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.