SCHEMBL3167663

SCHEMBL3167663

BrCc1cccc(-c2cccc(CBr)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.48
CCR8 P51685 2/20 0.40
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ALPL P05186 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CCR5 P51681 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 4/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9146011 0.97 CCR1 (0.46) CCR1CCR8KDM4ETDP1L3MBTL1
SCHEMBL3417679 0.89 CCR1 (0.40) CCR1CCR8KDM4ETDP1L3MBTL1
SCHEMBL30266840 0.87 CCR1 (0.64) CCR1CCR8SMN1; SMN2KCNH2NOS1
SCHEMBL8908397 0.87 CCR1 (0.64) CCR1CCR8SMN1; SMN2KCNH2NOS1
SCHEMBL245158 0.86 CCR1 (0.55) CCR1TDP1LMNASMN1; SMN2KCNH2
SCHEMBL313802 0.85 KDM4E (0.63) CCR1CCR8KDM4ETDP1L3MBTL1
SCHEMBL4435179 0.84 MEN1 (0.60) CCR1L3MBTL1HSP90AA1SMN1; SMN2KCNH2
SCHEMBL9355728 0.84 CCR1 (0.36) CCR1CCR8
Bromide SCHEMBL1259355 0.83 CCR1 (0.52) CCR1TDP1LMNASMN1; SMN2KCNH2
SCHEMBL15341667 0.82 DYRK1A (0.40) CCR1CCR8TP53SMN1; SMN2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665744-B1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIV ROCHESTER (US) 2015-04-08 EP disclosed
EP-2665744-B1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIV ROCHESTER (US) 2015-04-08 EP disclosed
US-8986953-B2 Macrocyclic compounds with a hybrid peptidic/non-peptidic backbone and methods for their preparation UNIVERSITY OF ROCHESTER (US) 2015-03-24 US disclosed
US-8986953-B2 Macrocyclic compounds with a hybrid peptidic/non-peptidic backbone and methods for their preparation UNIVERSITY OF ROCHESTER (US) 2015-03-24 US disclosed
US-20130330773-A1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION NATIONAL SCIENCE FOUNDATION 2013-12-12 US disclosed
EP-2665744-A2 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIVERSITY OF ROCHESTER (US) 2013-11-27 EP disclosed
US-8586613-B2 Pyridinium and quinolinium derivatives UNIVERSIDAD DE GRANADA (ES) 2013-11-19 US disclosed
WO-2013042120-A2 SYNTHETIC UBIQUITINS AND USE THEREOF IN DRUG SCREENING ASSAYS PROTEOLOGICS LTD (IL) 2013-03-28 WO disclosed
WO-2013042120-A2 SYNTHETIC UBIQUITINS AND USE THEREOF IN DRUG SCREENING ASSAYS PROTEOLOGICS LTD (IL) 2013-03-28 WO disclosed
WO-2012100176-A2 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIVERSITY OF ROCHESTER (US) 2012-07-26 WO disclosed
US-20070185170-A1 Derivatives of pyridine and quinoline CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2007-08-09 US disclosed
EP-1710236-A1 DERIVATIVES OF PYRIDINE AND QUINOLINE CONSEJO SUPERIOR INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2006-10-11 EP disclosed
EP-0601113-B1 RARE EARTH MACROCYCLIC COMPLEXES AND USE THEREOF FOR REDUCTION OF DISTURBANCES IN AN ASSAY USING FLUORESCENCE CIS BIO INT (FR) 1997-01-08 EP disclosed
US-5457184-A Medical diagnosis CIS BIO INTERNATIONAL (FR) 1995-10-10 US disclosed
US-5432101-A Complex consists of biologically active molecule associated by coupling or adsorption with the complex COMPAGNIE ORIS INDUSTRIE SA (FR) 1995-07-11 US disclosed
US-5220012-A Macropolycyclic rare earth complexes and application as fluorescent tracers COMPAGNIE ORIS INDUSTRIE SA (FR) 1993-06-15 US disclosed
EP-0180492-B1 MACROPOLYCYCLIC COMPLEXES OF RARE EARTH METALS AND APPLICATION AS FLUORESCENT LABELS CIS BIO INTERNATIONAL (FR) 1993-06-02 EP disclosed
WO-1993005049-A1 RARE EARTH MACROCYCLIC COMPLEXES AND USE THEREOF FOR REDUCTION OF DISTURBANCES IN AN ASSAY USING FLUORESCENCE CIS BIO INTERNATIONAL (FR) 1993-03-18 WO disclosed
US-4927923-A IMMUNOLOGY COMPAGNIE ORIS INDUSTRIES (FR) 1990-05-22 US disclosed
EP-0180492-A1 Macropolycyclic complexes of rare earth metals and application as fluorescent labels CIS BIO INTERNATIONAL (FR) 1986-05-07 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-20070185170-A1 Derivatives of pyridine and quinoline CHKA, CHKB, PHOSPHO1 CCR1 1569/4885CCR8 4258/4885KDM4E 499/4885
US-20130330773-A1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION MICA, VIP, NPEPPS CCR1 1077/4885CCR8 710/4885KDM4E 4356/4885

“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.