SCHEMBL433706

SCHEMBL433706

CON=C1CCOc2c1cccc2C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
RAB9A P51151 3/20 0.35
CYP3A4 P08684 2/20 0.35
NPC1 O15118 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX12 P18054 1/20 0.32
CA2 P00918 1/20 0.30

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
SCHEMBL431431 0.74 ALOX5 (0.36) MAPTALDH1A1CA2
SCHEMBL13167842 0.72 MEN1 (0.40) MAPTALDH1A1MEN1KMT2A
SCHEMBL17146135 0.72 MEN1 (0.40) MAPTALDH1A1MEN1KMT2A
SCHEMBL432977 0.71 KDM4E (0.35) MAPTCYP1A2CYP2C19ALDH1A1CA2
SCHEMBL4612499 0.70 PARP1 (0.47) ALDH1A1ALOX12CA2
SCHEMBL1980884 0.69 HSD11B1 (0.38) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL432170 0.69 CES1 (0.32) MAPTRAB9ACYP3A4NPC1CYP1A2
Methoxyamine SCHEMBL4553683 0.68 KDM4E (0.33) MAPTCYP1A2CYP2C19ALDH1A1
SCHEMBL2492980 0.66 ALOX12 (0.32) ALOX12CA2
SCHEMBL12609478 0.65 MAPT (0.54) MAPTRAB9ACYP3A4NPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US disclosed
US-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR ABBVIE INC. 2012-11-01 US disclosed
US-8232309-B2 Prodrugs of compounds that inhibit TRPV1 receptor ABBOTT LABORATORIES (US) 2012-07-31 US disclosed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-8030504-B2 Pain, especially, inflammatory hyperalgesia, ostheoarthritic pain, chronic lower pain, allodynia, migraine. Methods of controlling pain and treating bladder overactivity and urinary incontinence ABBOTT LABORATORIES (US) 2011-10-04 US disclosed
EP-1957464-A1 INDAZOLE DERIVATIVES THAT INHIBIT TRPVl RECEPTOR Abbott Laboratories (US) 2008-08-20 EP disclosed
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
WO-2007050732-A1 INDAZOLE DERIVATIVES THAT INHIBIT TRPVl RECEPTOR ABBOTT LABORATORIES (US) 2007-05-03 WO disclosed
US-20070099954-A1 Prodrugs of compounds that inhibit TRPV1 receptor ABBVIE INC. 2007-05-03 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 (5 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-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MAPT 2392/4885RAB9A 1680/4885CYP3A4 3307/4885
US-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR TRPV1, TRPV3, TRPA1 MAPT 2250/4885RAB9A 1055/4885CYP3A4 1307/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MAPT 2573/4885RAB9A 1713/4885CYP3A4 3364/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MAPT 2392/4885RAB9A 1680/4885CYP3A4 3307/4885
US-20070099954-A1 Prodrugs of compounds that inhibit TRPV1 receptor TRPV1, TRPV3, TRPA1 MAPT 2250/4885RAB9A 1055/4885CYP3A4 1307/4885

“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.