SCHEMBL9906369

SCHEMBL9906369

CC(C)c1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.44
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.41
PRKCZ Q05513 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRL1 P41146 2/20 0.39
KCNH2 Q12809 1/20 0.39
RPA1 P27694 1/20 0.39
CNR1 P21554 3/20 0.38

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
SCHEMBL9906368 0.81 PRKCZ (0.51) PRKCZ
SCHEMBL14320798 0.81 CNR2 (0.46) CNR2LMNAPRKCZL3MBTL1CNR1
SCHEMBL5204718 0.81 LMNA (0.49) CNR2LMNAL3MBTL1OPRL1KCNH2
SCHEMBL30297877 0.77 CNR2 (0.47) CNR2LMNAL3MBTL1OPRL1KCNH2
SCHEMBL25510561 0.77 TRPV1 (0.47)
SCHEMBL1833242 0.76 RPA1 (0.64) CNR2LMNARPA1CNR1
SCHEMBL28173224 0.76 CNR2 (0.43) CNR2LMNAL3MBTL1OPRL1KCNH2
SCHEMBL29452810 0.73 LMNA (0.43) CNR2LMNAL3MBTL1OPRL1KCNH2
SCHEMBL9906366 0.72 GRN (0.58)
SCHEMBL12859469 0.71 PTGS1 (0.43) CNR2LMNAL3MBTL1CNR1

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-8198308-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20110059938-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 US disclosed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 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-20110059938-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 CNR2 395/4885LMNA 294/4885NPC1 151/4885
US-20080182837-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 CNR2 395/4885LMNA 294/4885NPC1 151/4885

“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.