SCHEMBL9945902

SCHEMBL9945902

Cc1ccc(F)c(C(C)C)c1C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 12/20 0.34
CHRM1 P11229 12/20 0.34
RRM1 P23921 12/20 0.34
RRM2B Q7LG56 12/20 0.34
ACHE P22303 1/20 0.33
LMNA P02545 1/20 0.32
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 1/20 0.31

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
SCHEMBL12599606 0.85 ACHE (0.31) ACHE
SCHEMBL19682446 0.82 CHRM2 (0.33) CHRM2CHRM1RRM1RRM2BACHE
SCHEMBL20872550 0.82 CHRM2 (0.34) CHRM2CHRM1RRM1RRM2BACHE
SCHEMBL29628524 0.82 CHRM2 (0.33) CHRM2CHRM1RRM1RRM2BACHE
SCHEMBL29628526 0.82 CHRM2 (0.33) CHRM2CHRM1RRM1RRM2BACHE
SCHEMBL29628557 0.82 CHRM2 (0.34) CHRM2CHRM1RRM1RRM2BACHE
SCHEMBL22222494 0.81 ACHE (0.33) ACHELMNATRPA1PTGS1CACNA1C
SCHEMBL9945905 0.81 ACHE (0.33) ACHELMNATRPA1PTGS1CACNA1C
SCHEMBL10547149 0.79 LMNA (0.37) LMNATRPA1PTGS1CACNA1C
SCHEMBL22014779 0.79 LMNA (0.34) CHRM1LMNATRPA1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BROADENBIO CO., LTD. (CN) 2023-10-12 US disclosed
US-20200171028-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS HOLDINGS, LLC 2020-06-04 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 CHRM2 1504/4885CHRM1 2187/4885RRM1 4316/4885
US-20200171028-A1 METALLOENZYME INHIBITOR COMPOUNDS HDAC6, HDAC1, HDAC2 CHRM2 4537/4885CHRM1 4570/4885RRM1 2372/4885
US-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF PDXK, CMPK1, GCK CHRM2 2459/4885CHRM1 2119/4885RRM1 3738/4885

“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.