SCHEMBL12089072

SCHEMBL12089072

CC(C)Cc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ LMNA P02545 1/20 0.57
▸ CYP11B1 P15538 1/20 0.51
▸ CYP11B2 P19099 1/20 0.51
▸ RAB9A P51151 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ ADORA3 P0DMS8 3/20 0.48
▸ ADORA2A P29274 2/20 0.48
▸ ADORA2B P29275 2/20 0.48
▸ ADORA1 P30542 2/20 0.48
▸ ACR P10323 2/20 0.47
▸ TP53 P04637 1/20 0.45
▸ CHEK1 O14757 1/20 0.44
▸ RET P07949 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ RPS6KA3 P51812 1/20 0.44
▸ LIMK1 P53667 1/20 0.44

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
SCHEMBL1696565 0.80 L3MBTL1 (0.63) L3MBTL1LMNACYP11B1CYP11B2RAB9A
SCHEMBL2375495 0.77 L3MBTL1 (0.59) L3MBTL1LMNACYP11B1CYP11B2RAB9A
SCHEMBL4005632 0.77 CYP2D6 (0.68) L3MBTL1LMNACYP11B1CYP11B2RAB9A
SCHEMBL2522379 0.77 LMNA (0.62) L3MBTL1LMNACYP11B1CYP11B2RAB9A
SCHEMBL27677855 0.77 LMNA (0.62) L3MBTL1LMNACYP11B1CYP11B2RAB9A
SCHEMBL2523376 0.77 LMNA (0.62) L3MBTL1LMNACYP11B1CYP11B2RAB9A
SCHEMBL23773818 0.76 L3MBTL1 (0.58) L3MBTL1LMNACYP11B1CYP11B2RAB9A
SCHEMBL14985501 0.75 TRPV3 (0.40) L3MBTL1LMNACYP11B1CYP11B2RAB9A
SCHEMBL28171521 0.75 CYP11B1 (0.66) L3MBTL1LMNACYP11B1CYP11B2RAB9A
SCHEMBL2375029 0.75 L3MBTL1 (0.56) L3MBTL1LMNACYP11B1CYP11B2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225886-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-09-06 — — 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 (1 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-20120225886-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 L3MBTL1 4267/4885LMNA 1824/4885CYP11B1 219/4885

“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.

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