SCHEMBL686948

SCHEMBL686948

Cc1cnc2c(ccc3cc(C)cnc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 1.00
CCR5 P51681 3/20 1.00
CCR8 P51685 3/20 1.00
PSMD14 O00487 2/20 0.61
COPS5 Q92905 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CYP1A2 P05177 5/20 0.52
PARP1 P09874 1/20 0.52
NFKBIA P25963 1/20 0.49
CYP2A6 P11509 4/20 0.46
SLC40A1 Q9NP59 4/20 0.44
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL30492603 1.00 CCR1 (1.00) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL21064344 0.87 CCR1 (0.76) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL16902262 0.87 CCR1 (0.76) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL30492679 0.85 CCR1 (1.00) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL8756864 0.85 CCR1 (1.00) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL862768 0.85 CCR1 (0.73) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL862480 0.84 CCR1 (0.72) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL13707462 0.84 CCR1 (0.70) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL25687216 0.84 CCR1 (0.70) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL13338189 0.83 CCR1 (0.69) CCR1CCR5CCR8PSMD14COPS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US claimed
CN-111718381-A Osmium metal organic compound containing polypyridine ligand and preparation method and application thereof 荆楚理工学院 2020-09-29 CN claimed
CN-111518145-A Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof 荆楚理工学院 2020-08-11 CN claimed
CN-104370685-A Green synthesis method of tetramethyl biphenyl isomer compounds HARBIN INST TECH WEIHAI 2015-02-25 CN claimed
CN-104341256-A Low-cost and environment-friendly synthesis method of biphenyl derivatives HARBIN INST TECH WEIHAI 2015-02-11 CN claimed
CN-104262234-A Preparation method of biphenyl derivatives HARBIN INST TECH WEIHAI 2015-01-07 CN claimed
CN-104211559-A Preparation method of tetramethylbiphenyl isomers HARBIN INST TECH WEIHAI 2014-12-17 CN claimed
US-7410960-B2 Metal complexes and therapeutic uses thereof THE UNIVERSITY OF WESTERN SYDNEY (AU) 2008-08-12 US claimed
EP-1377552-B1 METAL COMPLEXES AND THERAPEUTIC USES THEREOF UNIV SYDNEY (AU) 2006-05-17 EP claimed
US-20040152686-A1 Metal complexes and therapeutic uses thereof THE UNIVERSITY OF WESTERN SYDNEY (AU) 2004-08-05 US claimed
EP-0894783-A1 Process for the synthesis of phenol from benzene Enichem S.p.A. (IT) 1999-02-03 EP claimed
US-5783164-A PALLADIUM CATALYST WITH A NITROGENATED LIGAND STABLE TO OXIDATION ENICHEM S.P.A. (IT) 1998-07-21 US claimed
EP-0853064-A1 Process for the synthesis of hydrogen peroxide ENICHEM S.p.A. (IT) 1998-07-15 EP claimed
US-5739264-A Process for the preparation of copolymers based on carbon monoxide and at least one compound having an alkenylic unsaturation ENICHEM S.P.A. (IT) 1998-04-14 US claimed
US-5734010-A Process for the preparation of copolymers of carbon monoxide and at least one compound containing an alkenyl unsaturation ENICHEM S.P.A. (IT) 1998-03-31 US claimed
US-5717060-A Process for the preparation of copolymers based on carbon monoxide and at least one compound containing an alkenyl unsaturation ENICHEM S.P.A. (IT) 1998-02-10 US claimed
EP-0808796-A1 Process for the preparation of hydrogen peroxide ENICHEM S.p.A. (IT) 1997-11-26 EP claimed
EP-0802213-A2 Process for the preparation of copolymers of carbon monoxide and at least one compound containing an alkenyl unsaturation ENICHEM S.p.A. (IT) 1997-10-22 EP claimed
EP-0774479-A2 Process for the preparation of copolymers based on carbon monoxide and at least one compound containing an alkenyl unsaturation ENICHEM S.p.A. (IT) 1997-05-21 EP claimed
EP-0728791-A1 Process for the preparation of copolymers based on carbon monoxide and at least one compound having an alkenylic unsaturation ENICHEM S.p.A. (IT) 1996-08-28 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040152686-A1 Metal complexes and therapeutic uses thereof SOD1, PDCD1LG2, SLC30A5 CCR1 173/4885CCR5 361/4885CCR8 508/4885

“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.