SCHEMBL3514906

SCHEMBL3514906

CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)C(C(=O)O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 1.00

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
SCHEMBL7381538 1.00 TACR1 (1.00) TACR1
SCHEMBL3518039 0.96 TACR1 (0.92) TACR1
SCHEMBL7384697 0.93 TACR1 (0.86) TACR1
SCHEMBL7385826 0.93 TACR1 (0.86) TACR1
SCHEMBL7387565 0.92 TACR1 (0.85) TACR1
SCHEMBL7419560 0.92 TACR1 (0.85) TACR1
SCHEMBL9307683 0.92 TACR1 (0.85) TACR1
SCHEMBL7378861 0.91 TACR1 (0.83) TACR1
SCHEMBL7383952 0.91 TACR1 (0.83) TACR1
SCHEMBL3514055 0.91 TACR1 (0.83) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992020661-A1 N, N-DIACYLPIPERAZINES MERCK & CO., INC. (US) 1992-11-26 WO claimed
US-20160052925-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFTAMMATORY PAIN NOVARTIS AG (CH) 2016-02-25 US disclosed
US-9227968-B2 Method of treatment or prophylaxis of inflammatory pain NOVARTIS AG (CH) 2016-01-05 US disclosed
US-20140142116-A1 Method of Treatment or Prophylaxis of Inflammatory Pain SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-05-22 US disclosed
US-8551950-B2 Method of treatment or prophylaxis of inflammatory pain SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-10-08 US disclosed
US-20100292159-A1 METHOD OF TREATMENT OR PROPHYLAXIS OF INFLAMMATORY PAIN UNIVERSITY OF QUEENSLAND (AU) 2010-11-18 US disclosed
EP-1996183-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2008-12-03 EP disclosed
WO-2007106938-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2007-09-27 WO disclosed
WO-1995000498-A1 N,N-DIACYLPIPERAZINES MERCK & CO., INC. (US) 1995-01-05 WO disclosed
US-5348955-A Angiotensis II antagonists MERCK & CO., INC. (US) 1994-09-20 US disclosed
US-5344830-A Anitinflammatory, cardiovascular, analgesic, central nervous system MERCK & CO., INC. (US) 1994-09-06 US disclosed
WO-1994013646-A1 N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-06-23 WO disclosed
US-5292726-A N,N-diacylpiperazines MERCK & CO., INC. (US) 1994-03-08 US disclosed
WO-1992020661-A1 N, N-DIACYLPIPERAZINES MERCK & CO., INC. (US) 1992-11-26 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 (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-20160052925-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFTAMMATORY PAIN AGTR2, AGTR1, BDKRB2 TACR1 27/4885
US-20140142116-A1 Method of Treatment or Prophylaxis of Inflammatory Pain AGTR2, AGTR1, BDKRB2 TACR1 43/4885
US-20100292159-A1 METHOD OF TREATMENT OR PROPHYLAXIS OF INFLAMMATORY PAIN AGTR2, AGTR1, BDKRB2 TACR1 28/4885

“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.