SCHEMBL7599299

SCHEMBL7599299

CN(CCc1ccc(N)cc1)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.59
PRMT6 Q96LA8 1/20 0.59
PRMT8 Q9NR22 1/20 0.59
SIGMAR1 Q99720 3/20 0.59
MAOB P27338 4/20 0.59
MAOA P21397 2/20 0.59
ROCK1 Q13464 1/20 0.55
AOC3 Q16853 2/20 0.53
TAAR1 Q96RJ0 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL3148258 1.00 CARM1 (0.59) CARM1PRMT6PRMT8SIGMAR1MAOB
Hydrochloric Acid SCHEMBL6963204 0.98 MAOB (0.60) CARM1PRMT6PRMT8SIGMAR1MAOB
SCHEMBL8402960 0.89 SIGMAR1 (0.71) CARM1PRMT6PRMT8SIGMAR1MAOB
SCHEMBL3152066 0.87 CARM1 (0.59) CARM1PRMT6PRMT8SIGMAR1MAOB
SCHEMBL21231364 0.85 ALDH1A1 (0.65) CARM1PRMT6PRMT8SIGMAR1ROCK1
SCHEMBL6538284 0.85 SIGMAR1 (0.67) CARM1PRMT6PRMT8SIGMAR1MAOB
SCHEMBL13222367 0.84 KDM4E (0.62) CARM1PRMT6PRMT8SIGMAR1ROCK1
SCHEMBL16980535 0.83 SIGMAR1 (0.56) CARM1PRMT6PRMT8SIGMAR1ROCK1
SCHEMBL3152104 0.83 KDM4E (0.58) CARM1PRMT6PRMT8SIGMAR1MAOB
SCHEMBL9627913 0.82 SIGMAR1 (0.66) SIGMAR1MAOBMAOAAOC3TAAR1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11564911-B2 Small molecule dual-inhibitors of TRPV4 and TRPA1 for sanitizing and anesthetizing DUKE UNIVERSITY (US) 2023-01-31 US disclosed
US-11229628-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch DUKE UNIVERSITY (US) 2022-01-25 US disclosed
US-11014896-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch DUKE UNIVERSITY (US) 2021-05-25 US disclosed
US-20190315700-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH DUKE UNIVERSITY 2019-10-17 US disclosed
US-10329265-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch DUKE UNIVERSITY (US) 2019-06-25 US disclosed
US-20190091206-A1 SMALL MOLECULE DUAL-INHIBITORS OF TRPV4 AND TRPA1 FOR SANITIZING AND ANESTHETIZING DUKE UNIVERSITY 2019-03-28 US disclosed
WO-2017177200-A1 SMALL MOLECULE DUAL-INHIBITORS OF TRPV4 AND TRPA1 FOR SANITIZING AND ANESTHETIZING DUKE UNIVERSITY (US) 2017-10-12 WO disclosed
US-20170267651-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH DUKE UNIVERSITY 2017-09-21 US disclosed
US-20170267651-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH DUKE UNIVERSITY 2017-09-21 US disclosed
US-20160199363-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH DUKE UNIVERSITY 2016-07-14 US disclosed
US-20160199363-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH DUKE UNIVERSITY 2016-07-14 US disclosed
WO-2016028325-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH DUKE UNIVERSITY (US) 2016-02-25 WO disclosed
EP-0782567-B2 ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS ASTRA AB (SE) 2002-12-11 EP disclosed
EP-0782567-B1 ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS ASTRA AB (SE) 1999-06-30 EP disclosed
US-5721247-A Isothiourea derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1998-02-24 US disclosed
EP-0782567-A1 ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS Astra Aktiebolag (SE) 1997-07-09 EP disclosed
WO-1996009286-A1 ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS ASTRA AKTIEBOLAG (SE) 1996-03-28 WO disclosed
WO-1994003425-A2 CARBOSTYRIL DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIA SYNTEX (U.S.A.) INC. (US) 1994-02-17 WO 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 (8 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-20190315700-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH TRPA1, TRPV4, TRPV2 CARM1 4790/4885PRMT6 4763/4885PRMT8 4399/4885
US-20160199363-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH TRPA1, TRPV4, TRPV2 CARM1 4790/4885PRMT6 4763/4885PRMT8 4399/4885
US-20170267651-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH TRPA1, TRPV4, TRPV2 CARM1 4790/4885PRMT6 4763/4885PRMT8 4399/4885
US-11229628-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch TRPA1, TRPV4, TRPV2 CARM1 4790/4885PRMT6 4763/4885PRMT8 4399/4885
US-11564911-B2 Small molecule dual-inhibitors of TRPV4 and TRPA1 for sanitizing and anesthetizing TRPA1, TRPV4, TRPV1 CARM1 3080/4885PRMT6 3643/4885PRMT8 3127/4885
US-10329265-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch TRPA1, TRPV4, TRPV2 CARM1 4790/4885PRMT6 4763/4885PRMT8 4399/4885
US-20190091206-A1 SMALL MOLECULE DUAL-INHIBITORS OF TRPV4 AND TRPA1 FOR SANITIZING AND ANESTHETIZING TRPA1, TRPV4, TRPV1 CARM1 3080/4885PRMT6 3643/4885PRMT8 3127/4885
US-11014896-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch TRPA1, TRPV4, TRPV2 CARM1 4790/4885PRMT6 4763/4885PRMT8 4399/4885

“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.