SCHEMBL6583768

SCHEMBL6583768

OCCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.69
SIGMAR1 Q99720 3/20 0.67
MC4R P32245 1/20 0.61
KDM1A O60341 1/20 0.55
DRD4 P21917 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL11347486 0.89 SIGMAR1 (0.72) CCR3SIGMAR1MC4RDRD4LMNA
SCHEMBL3037947 0.89 SIGMAR1 (0.72) CCR3SIGMAR1MC4RDRD4LMNA
SCHEMBL6657455 0.88 CCR3 (0.85) CCR3SIGMAR1MC4RKDM1ADRD4
SCHEMBL6659913 0.88 CCR3 (0.79) CCR3SIGMAR1MC4RKDM1ADRD4
Hydrochloric Acid SCHEMBL10502885 0.86 CCR3 (0.76) CCR3SIGMAR1MC4RKDM1ADRD4
SCHEMBL6657649 0.86 CCR3 (0.82) CCR3SIGMAR1MC4RDRD4LMNA
SCHEMBL11399131 0.85 SIGMAR1 (0.81) CCR3SIGMAR1POLB
SCHEMBL10932016 0.85 SIGMAR1 (0.69) CCR3SIGMAR1
SCHEMBL8186010 0.85 CCR3 (0.51) CCR3SIGMAR1MC4RLMNAPOLB
SCHEMBL6659339 0.84 SIGMAR1 (0.86) CCR3SIGMAR1MC4RDRD4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148541-B2 Rhodanine derivatives, a process for the preparation thereof and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-03 US disclosed
WO-2010025906-A2 HYBRID ANTIMICROBIAL COMPOUNDS AND THEIR USE MERLION PHARMACEUTICALS PTE LTD (SG) 2010-03-11 WO disclosed
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 US disclosed
WO-2007081091-A1 RHODANDSE DERIVARIVES, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-07-19 WO disclosed
EP-0928789-B1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2004-09-29 EP disclosed
US-6444677-B2 TREATMENT OF INFLAMMATION, CARDIOVASCULAR DISEASE, PAIN, ETC. PFIZER INC. 2002-09-03 US disclosed
US-20010046993-A1 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists IKEDA TAKAFUMI (JP) 2001-11-29 US disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US disclosed
EP-1106614-A1 5-Membered heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 2001-06-13 EP disclosed
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed
EP-0050396-B1 COUMARIN INTERMEDIATES BEECHAM GROUP PLC (GB) 1984-12-27 EP disclosed
EP-0010392-B1 HETEROCYCLIC COUMARIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVES BEECHAM GROUP PLC (GB) 1982-12-29 EP disclosed
EP-0050396-A1 Coumarin intermediates BEECHAM GROUP PLC (GB) 1982-04-28 EP disclosed
US-4263299-A ANTIHISTAMINES, ANTIALLERGENS BEECHAM GROUP LIMITED (GB) 1981-04-21 US disclosed
EP-0010392-A1 Heterocyclic coumarin derivatives, their preparation and pharmaceutical compositions comprising said derivatives BEECHAM GROUP PLC (GB) 1980-04-30 EP 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 (2 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-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same PTPRR, PTPRG, PTPRS CCR3 1077/4885SIGMAR1 2456/4885MC4R 1395/4885
US-20010046993-A1 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, CNR2 CCR3 109/4885SIGMAR1 127/4885MC4R 667/4885

“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.