SCHEMBL10246733

SCHEMBL10246733

NC(=O)C1CCc2ccccc2N1P

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.42
ACE P12821 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MTNR1A P48039 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NOTUM Q6P988 1/20 0.39
GAA P10253 2/20 0.39
CNR2 P34972 2/20 0.38

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
SCHEMBL432288 0.81 MTNR1A (0.53) TSHRALDH1A1MAPTACEMEN1
SCHEMBL10246732 0.77 NOTUM (0.48) TSHRALDH1A1ACEKDM4EHPGD
SCHEMBL14055318 0.76 ALDH1A1 (0.40) TSHRALDH1A1MAPTPOLBACE
SCHEMBL428937 0.75 MTNR1A (0.58) ALDH1A1POLBACEMTNR1A
SCHEMBL28162113 0.73 ACE (0.60) ACESMN1; SMN2GAA
SCHEMBL27563667 0.72 ACE (0.52) TSHRACEMTNR1A
SCHEMBL12878824 0.71 ACE (0.50) ACE
SCHEMBL10246500 0.70 HTR2A (0.41) TSHRALDH1A1MEN1ALOX15KMT2A
SCHEMBL18410026 0.70 ACE (0.33) ACEMEN1KMT2ATDP1
SCHEMBL4271426 0.69 ACE (0.56) TSHRACEMEN1KMT2AMTNR1A

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-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 TSHR 535/4885ALDH1A1 1142/4885MAPT 2392/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 TSHR 544/4885ALDH1A1 1242/4885MAPT 2573/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 TSHR 535/4885ALDH1A1 1142/4885MAPT 2392/4885

“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.