SCHEMBL430270

SCHEMBL430270

O=C1CCOc2c1ccc1c2CCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
PARP1 P09874 1/20 0.40
CES1 P23141 5/20 0.40
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CYP2A6 P11509 1/20 0.35
PRKCI P41743 1/20 0.35
GRM5 P41594 4/20 0.35
CYP19A1 P11511 1/20 0.35
NQO1 P15559 1/20 0.33

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
SCHEMBL17362278 0.76 MAOA (0.39) MAOAMAOBPARP1HTR2AHTR2C
SCHEMBL29599417 0.74 PARP1 (0.39) PARP1CES1HTR2AHTR2CHTR2B
SCHEMBL432170 0.72 CES1 (0.32) CES1
SCHEMBL19116380 0.72 CYP19A1 (0.49) MAOAMAOBPARP1CES1CYP2A6
SCHEMBL7761381 0.71 TDP2 (0.44) MAOAMAOBGRM5
SCHEMBL7155554 0.70 PARP1 (0.45) MAOAMAOBPARP1CES1CYP2A6
SCHEMBL9465158 0.69 MAOB (0.51) MAOAMAOBGRM5
SCHEMBL5658039 0.69 MAOA (0.41) MAOAMAOBPARP1CES1CYP2A6
SCHEMBL25166445 0.69 MAOB (0.40) MAOAMAOBGRM5
SCHEMBL8593147 0.69 LMNA (0.42) MAOAMAOBGRM5

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 MAOA 1238/4885MAOB 1247/4885PARP1 2800/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MAOA 1407/4885MAOB 1401/4885PARP1 2531/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MAOA 1238/4885MAOB 1247/4885PARP1 2800/4885

“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.