SCHEMBL2425712

SCHEMBL2425712

NC(=O)c1ccc(C(=O)O)cc1NC1CCC(N2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 9/20 0.46
▸ L3MBTL1 Q9Y468 8/20 0.46
▸ MBTD1 Q05BQ5 5/20 0.46
▸ TP53BP1 Q12888 3/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ L3MBTL4 Q8NA19 1/20 0.46
▸ PHF20 Q9BVI0 1/20 0.46
▸ MORF4L1 Q9UBU8 1/20 0.46
▸ HCAR3 P49019 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.41
▸ CREBBP Q92793 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL2425713 1.00 L3MBTL3 (0.46) L3MBTL3L3MBTL1MBTD1TP53BP1CHRM2
SCHEMBL2426799 0.86 HCAR3 (0.55) HCAR3ALDH1A1CREBBP
SCHEMBL2424448 0.85 HCAR3 (0.56) HCAR3CREBBP
SCHEMBL2426534 0.84 HCAR3 (0.57) HCAR3CREBBP
SCHEMBL2426793 0.84 HCAR3 (0.57) HCAR3CREBBP
SCHEMBL2422533 0.81 HSP90AA1 (0.53) HCAR3
SCHEMBL2422536 0.81 HSP90AA1 (0.53) HCAR3
SCHEMBL2427377 0.78 CREBBP (0.51) HCAR3CREBBP
SCHEMBL2425594 0.77 HCAR3 (0.43) HCAR3CREBBP
SCHEMBL2425596 0.77 HCAR3 (0.43) HCAR3CREBBP

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-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 — — US disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 — — EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 — — EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 — — US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 — — WO 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 L3MBTL3 1378/4885L3MBTL1 960/4885MBTD1 2670/4885

“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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