SCHEMBL10246732

SCHEMBL10246732

CCOC(=O)C1CCc2ccccc2N1P

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
ALDH1A1 P00352 3/20 0.45
MTNR1A P48039 2/20 0.44
ACE P12821 1/20 0.43
NR1D1 P20393 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL433888 0.85 MTNR1A (0.54) NOTUMALDH1A1MTNR1AACENR1D1
SCHEMBL11392205 0.84 NOTUM (0.48) NOTUMALDH1A1MTNR1AACENR1D1
SCHEMBL9304813 0.82 NOTUM (0.46) NOTUMALDH1A1MTNR1AACENR1D1
SCHEMBL428369 0.80 MTNR1A (0.58) NOTUMALDH1A1MTNR1AACEKMT2A
SCHEMBL10246733 0.77 TSHR (0.46) NOTUMALDH1A1MTNR1AACEKDM4E
SCHEMBL8049618 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDKMT2A
SCHEMBL7435800 0.74 NR1D1 (0.51) ALDH1A1MTNR1ANR1D1KDM4ELMNA
SCHEMBL23343522 0.73 NR1D1 (0.50) NOTUMNR1D1
SCHEMBL4959583 0.73 NR1D1 (0.50) NOTUMNR1D1
SCHEMBL27927982 0.73 NR1D1 (0.47) NOTUMNR1D1KDM4ELMNAHPGD

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-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-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 NOTUM 3262/4885ALDH1A1 1142/4885MTNR1A 59/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 NOTUM 3376/4885ALDH1A1 1242/4885MTNR1A 48/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 NOTUM 3262/4885ALDH1A1 1142/4885MTNR1A 59/4885

“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.