SCHEMBL4944670

SCHEMBL4944670

C=Cc1ccnc(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.34
CCR5 P51681 3/20 0.34
CCR8 P51685 3/20 0.34
CYP2A6 P11509 1/20 0.34
HDAC8 Q9BY41 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDXK O00764 1/20 0.32
GRM4 Q14833 1/20 0.30
UHRF1 Q96T88 1/20 0.30

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
SCHEMBL29673267 1.00 CCR1 (0.34) CCR1CCR5CCR8CYP2A6HDAC8
SCHEMBL26345976 0.82 PDXK (0.34) CCR1CCR5CCR8NOS3NOS2
SCHEMBL10426328 0.82 PDXK (0.35) CCR1CCR5CCR8CYP2A6HDAC8
SCHEMBL1567878 0.78 NOS3 (0.30) NOS3NOS2
SCHEMBL4796219 0.77 CCR1 (0.54) CCR1CCR5CCR8CYP2A6NOS3
SCHEMBL19443439 0.77 CCR1 (0.39) CCR1CCR5CCR8CYP2A6
SCHEMBL25141754 0.75 PDE3B (0.34) NOS3NOS2
SCHEMBL11830120 0.75 NOS2 (0.40) CYP2A6NOS3NOS2PDXK
SCHEMBL19685357 0.75
SCHEMBL27453477 0.74 CCR1 (0.32) CCR1CCR5CCR8CYP2A6NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692081-B1 NOVEL GRAFT POLYMERS, METHODS FOR PREPARING SAME, AND USES THEREOF PARTICULARLY FOR METAL CAPTURE UNIV PARIS SACLAY (FR) 2024-12-04 EP disclosed
CN-114644738-B Active nano emulsion and preparation method thereof 清华大学 2023-07-14 CN disclosed
US-20230139277-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-05-04 US disclosed
US-20230123928-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-04-20 US disclosed
CN-114644738-A Active nano latex and preparation method thereof 清华大学 2022-06-21 CN disclosed
US-20220127288-A1 ORGANIC METAL COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND LG DISPLAY CO., LTD. (KR) 2022-04-28 US disclosed
EP-3692081-A1 NOVEL GRAFT POLYMERS, METHODS FOR PREPARING SAME, AND USES THEREOF PARTICULARLY FOR METAL CAPTURE Université Paris-Saclay (FR) 2020-08-12 EP disclosed
WO-2019068962-A1 NOVEL GRAFT POLYMERS, METHODS FOR PREPARING SAME, AND USES THEREOF PARTICULARLY FOR METAL CAPTURE UNIVERSITE PARIS-SUD (FR) 2019-04-11 WO disclosed
CN-1968749-B Titanium zeolite catalysts LYONDELL CHEMICAL TECH LP 2010-09-29 CN disclosed
US-7470800-B2 Titanium zeolite catalysts LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2008-12-30 US disclosed
US-20070282116-A1 Titanium zeolite catalysts LYONDELL CHEMICAL TECHNOLOGY, L.P. 2007-12-06 US disclosed
US-7276464-B2 Titanium zeolite catalysts LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2007-10-02 US disclosed
CN-1968749-A Titanium zeolite catalysts LYONDELL CHEMICAL TECH LP (US) 2007-05-23 CN disclosed
EP-1773490-A1 TITANIUM ZEOLITE CATALYSTS Lyondell Chemical Technology, L.P. (US) 2007-04-18 EP disclosed
WO-2006007007-A1 TITANIUM ZEOLITE CATALYSTS LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2006-01-19 WO disclosed
US-20050283009-A1 Titanium zeolite catalysts LYONDELL CHEMICAL TECHNOLOGY, L.P. 2005-12-22 US disclosed
US-4490535-A 4-(3- and 4-Chlorocyclohex-3-enyl)pyridine intermediates ETHYL CORPORATION (US) 1984-12-25 US disclosed
US-4405792-A Substituted pyridines and their preparation ETHYL CORPORATION (US) 1983-09-20 US disclosed
US-3936429-A Reactive polymer FUJI PHOTO FILM CO., LTD. (JA) 1976-02-03 US 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 (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-20220127288-A1 ORGANIC METAL COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND OCIAD1, OCIAD2, OXA1L CCR1 3445/4885CCR5 3329/4885CCR8 3992/4885

“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.