SCHEMBL432977

SCHEMBL432977

CON=C1CCN(C)c2c1cccc2C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.30
CA2 P00918 1/20 0.30
TRPV1 Q8NER1 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
Methoxyamine SCHEMBL4553683 0.95 KDM4E (0.33) KDM4EMAPTALDH1A1CYP1A2CYP2D6
SCHEMBL431689 0.74 MAPT (0.42) KDM4EMAPTALDH1A1GAA
SCHEMBL431800 0.74 POLB (0.35) KDM4EMAPTALDH1A1CYP1A2CYP2D6
SCHEMBL10204221 0.72 KMO (0.40) ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL433706 0.71 MAPT (0.35) MAPTALDH1A1CYP1A2CYP2C19CA2
Methoxyamine SCHEMBL4553695 0.70 MAPT (0.39) KDM4EMAPT
SCHEMBL10224103 0.66 CES1 (0.41) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL10246459 0.64 KDM4E (0.41) KDM4EMAPT
SCHEMBL24302743 0.62 NOTUM (0.43) KDM4EMAPTALDH1A1CYP1A2CYP2D6
SCHEMBL15935182 0.62 P2RX7 (0.35) ALDH1A1CA2

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 6 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
EP-2450346-A1 Antagonists of the TRPV1 receptor and uses thereof Abbott Laboratories (US) 2012-05-09 EP 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
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 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-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 KDM4E 4626/4885MAPT 2392/4885ALDH1A1 1142/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 KDM4E 4625/4885MAPT 2573/4885ALDH1A1 1242/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 KDM4E 4626/4885MAPT 2392/4885ALDH1A1 1142/4885

“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.