SCHEMBL1907786

SCHEMBL1907786

CCN(Cc1cc(Br)ccc1OCc1ccccc1)c1ccc(C(=O)O)cn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.53
PTGER1 P34995 9/20 0.49
CYP1A2 P05177 1/20 0.49
CCR5 P51681 5/20 0.47
HCAR3 P49019 1/20 0.46
USP28 Q96RU2 1/20 0.44
USP25 Q9UHP3 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
GCK P35557 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL8703967 0.95 CCR5 (0.48) RXRAPTGER1CYP1A2CCR5HCAR3
SCHEMBL8701112 0.92 CCR5 (0.46) RXRAPTGER1CYP1A2CCR5HCAR3
SCHEMBL8162210 0.92 ALDH1A1 (0.45) RXRAPTGER1CYP1A2CCR5HCAR3
SCHEMBL8167295 0.92 PTGER1 (0.46) RXRAPTGER1CYP1A2CCR5USP28
SCHEMBL8167606 0.91 CCR5 (0.58) RXRAPTGER1CCR5
SCHEMBL6256530 0.91 RXRA (0.51) RXRAPTGER1CYP1A2CCR5HCAR3
SCHEMBL7662467 0.91 CCR5 (0.45) RXRAPTGER1CYP1A2CCR5USP28
SCHEMBL8161455 0.91 PTGER1 (0.54) RXRAPTGER1CCR5
SCHEMBL27406198 0.89 RXRA (0.49) RXRAPTGER1HCAR3ALDH1A1RAB9A
SCHEMBL8162566 0.89 CCR5 (0.45) RXRAPTGER1CYP1A2CCR5HCAR3

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1085663-C Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2002-05-29 CN claimed
EP-0773930-B1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LTD (GB) 2000-10-11 EP claimed
CN-1154106-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 1997-07-09 CN claimed
US-20130217694-A1 METHOD OF REDUCING THE SEVERITY OF INFLAMMATORY DERMATOLOGICAL CONDITIONS ALLERGAN, INC.. (US) 2013-08-22 US disclosed
US-20130217694-A1 METHOD OF REDUCING THE SEVERITY OF INFLAMMATORY DERMATOLOGICAL CONDITIONS ALLERGAN, INC.. (US) 2013-08-22 US disclosed
US-20130102612-A1 TOPICAL DERMAL BRIMONIDINE COMPOSITIONS ALLERGAN, INC. (US) 2013-04-25 US disclosed
US-20130102612-A1 TOPICAL DERMAL BRIMONIDINE COMPOSITIONS ALLERGAN, INC. (US) 2013-04-25 US disclosed
US-20120302574-A1 Methods of Preventing and Reducing the Severity of Stress-Associated Conditions ALLERGAN, INC. (US) 2012-11-29 US disclosed
US-20120302574-A1 Methods of Preventing and Reducing the Severity of Stress-Associated Conditions ALLERGAN, INC. (US) 2012-11-29 US disclosed
EP-1638569-B1 USE OF BRIMONIDINE FOR PREVENTING AND REDUCING THE SEVERITY OF STRESS-ASSOCIATED CONDITIONS ALLERGAN INC (US) 2012-01-04 EP disclosed
US-7977335-B2 Administering brimonidine; skin disorders; irritable bowel syndrome; dyspepsia; cardiovascular disorders; muscle relaxants ALLERGAN, INC. (US) 2011-07-12 US disclosed
US-20030078236-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain ALLERGAN, INC. 2003-04-24 US disclosed
WO-2003033470-A1 ARYLSULFANYL AND HETEROARYLSULFANYL DERIVATIVES FOR TREATING PAIN ALLERGAN, INC. (US) 2003-04-24 WO disclosed
CN-1085663-C Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2002-05-29 CN disclosed
CN-1286254-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2001-03-07 CN disclosed
EP-0773930-B1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LTD (GB) 2000-10-11 EP disclosed
US-5843942-A Aromatic amino ethers as pain relieving agents ZENECA LIMITED (GB) 1998-12-01 US disclosed
CN-1154106-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 1997-07-09 CN disclosed
EP-0773930-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1997-05-21 EP disclosed
WO-1996003380-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1996-02-08 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 (4 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-20120302574-A1 Methods of Preventing and Reducing the Severity of Stress-Associated Conditions TNNC1, TPSAB1, TNNI3 RXRA 3106/4885PTGER1 432/4885CYP1A2 1217/4885
US-20130217694-A1 METHOD OF REDUCING THE SEVERITY OF INFLAMMATORY DERMATOLOGICAL CONDITIONS CCL11, BDKRB2, ASAH2 RXRA 1350/4885PTGER1 273/4885CYP1A2 862/4885
US-20130102612-A1 TOPICAL DERMAL BRIMONIDINE COMPOSITIONS BDKRB2, BRD2, ADRB2 RXRA 2909/4885PTGER1 1522/4885CYP1A2 1237/4885
US-20030078236-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain OPRD1, OPRK1, OPRL1 RXRA 257/4885PTGER1 198/4885CYP1A2 55/4885

“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.