SCHEMBL431306

SCHEMBL431306

CON=C1CCN(Cc2ccccc2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
HTR6 P50406 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
HDAC2 Q92769 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
POLB P06746 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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 SCHEMBL4553901 0.95 BRD4 (0.39) BRD4HTR6DDB1CRBNCACNA1G
SCHEMBL431689 0.76 MAPT (0.42) KDM4EMAPTALDH1A1GAA
SCHEMBL10246459 0.75 KDM4E (0.41) KDM4EMAPT
SCHEMBL20620191 0.74 ALDH1A1 (0.46) BRD4HTR6DDB1CRBNCACNA1G
SCHEMBL426981 0.73 KMT2A (0.54) BRD4DDB1CRBNCACNA1GCACNA1H
Methoxyamine SCHEMBL4553695 0.71 MAPT (0.39) KDM4EMAPTLMNA
SCHEMBL29875634 0.69 ALDH1A1 (0.66) BRD4DDB1CRBNCACNA1GCACNA1H
SCHEMBL29558 0.69 ALDH1A1 (0.66) BRD4DDB1CRBNCACNA1GCACNA1H
SCHEMBL11304976 0.69 HTR6 (0.62) HTR6
SCHEMBL16738085 0.69 BRD4 (0.53) BRD4DDB1CRBNPOLBBRD2

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 BRD4 1451/4885HTR6 277/4885DDB1 4720/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 BRD4 1448/4885HTR6 251/4885DDB1 4703/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 BRD4 1451/4885HTR6 277/4885DDB1 4720/4885

“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.