SCHEMBL873855

SCHEMBL873855

Cc1cc2ccc3ncccc3c2nc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
CCR1 P32246 3/20 0.53
CCR8 P51685 3/20 0.53
CYP3A4 P08684 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
CCR5 P51681 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HSP90AA1 P07900 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
HSP90AB1 P08238 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL7731817 0.98 LMNA (0.54) LMNACCR1CCR8CYP3A4MAPT
SCHEMBL8571632 0.79 MAPT (0.57) LMNACCR1CCR8CYP3A4MAPT
SCHEMBL18704724 0.79 LMNA (0.58) LMNACCR1CCR8CYP3A4MAPT
SCHEMBL30286995 0.77 CCR1 (0.62) LMNACCR1CCR8CYP3A4MAPT
SCHEMBL874271 0.77 LMNA (0.67) LMNACCR1CCR8CYP3A4MAPT
SCHEMBL529761 0.77 CCR1 (0.62) LMNACCR1CCR8CYP3A4MAPT
SCHEMBL15706275 0.77 L3MBTL1 (0.53) CCR1CCR8MAPTKDM4EALDH1A1
Water SCHEMBL27996227 0.76 CCR1 (0.61) LMNACCR1CCR8CYP3A4MAPT
O-Xylene SCHEMBL1420180 0.75 LMNA (0.79) LMNACCR1CCR8CYP3A4MAPT
SCHEMBL11942827 0.75 HSP90AA1 (0.55) LMNACCR1CCR8CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905287-B2 4-substitued cytisine analogues THE UNIVERSITY OF BRISTOL (GB) 2024-02-20 US claimed
US-20230203038-A1 4-SUBSTITUED CYTISINE ANALOGUES THE UNIVERSITY OF BRISTOL (GB) 2023-06-29 US claimed
US-11667638-B2 4-substitued cytisine analogues THE UNIVERSITY OF BRISTOL 2023-06-06 US claimed
EP-3500572-B1 CYTISINE DERIVATIVES FOR THE TREATMENT OF ADDICTION UNIV BRISTOL (GB) 2022-10-26 EP claimed
US-20200172544-A1 COMPOUNDS THE UNIVERSITY OF BRISTOL (GB) 2020-06-04 US claimed
CN-110088106-A Compound 布里斯托大学 2019-08-02 CN claimed
EP-3500572-A2 CYTISINE DERIVATIVES FOR THE TREATMENT OF ADDICTION The University Of Bristol (GB) 2019-06-26 EP claimed
CN-108735393-A A kind of environment-friendly cable production method 临沂启阳电缆有限公司 2018-11-02 CN claimed
WO-2018033742-A2 COMPOUNDS THE UNIVERSITY OF BRISTOL (GB) 2018-02-22 WO claimed
CN-103119713-B The integrated antenna package that electrochemistry is powered INTERNATIONAL BUSINESS MACHINES CORP. (US) 2016-01-20 CN claimed
CN-103074509-A Preparation method of brake-disc aluminum matrix compound material strengthened by silicon carbide-zirconium oxide particles SHANDONG ZHENGNUO MACHINERY TECHNOLOGY CO LTD 2013-05-01 CN claimed
CN-103074507-A Carborundum-added particle-reinforced silicon aluminum alloy matrix composite for brake disc and preparation method thereof SHANDONG ZHENGNUO MACHINERY TECHNOLOGY CO LTD 2013-05-01 CN claimed
CN-103000723-A Solar cell MOTECH IND INC 2013-03-27 CN claimed
WO-2012038843-A1 ELECTROCHEMICALLY POWERED INTEGRATED CIRCUIT PACKAGE INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-29 WO claimed
EP-1747281-B1 ELECTROCHEMICAL ASSAY DEVICE AND RELATED METHODS AGAMATRIX INC (US) 2010-09-08 EP claimed
US-20080267867-A1 Metal Complexes of N-Heterocyclic Carbenes as Radiopharmaceuticals and Antibiotics UNIVERSITY OF AKRON 2008-10-30 US claimed
EP-1660444-A4 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES AS RADIOPHARMACEUTICALS AND ANTIBIOTICS UNIV AKRON (US) 2007-12-26 EP claimed
CN-1926141-A Metal complexes of N-heterocyclic carbenes as radiopharmaceuticals and antibiotics UNIV AKRON (US) 2007-03-07 CN claimed
EP-1660444-A2 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES AS RADIOPHARMACEUTICALS AND ANTIBIOTICS The University of Akron (US) 2006-05-31 EP claimed
WO-2005023760-A2 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES AS RADIOPHARMACEUTICALS AND ANTIBIOTICS THE UNIVERSITY OF AKRON (US) 2005-03-17 WO 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 (5 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-20080267867-A1 Metal Complexes of N-Heterocyclic Carbenes as Radiopharmaceuticals and Antibiotics MKI67, C1S, CYC1 LMNA 3541/4885CCR1 257/4885CCR8 1776/4885
US-11667638-B2 4-substitued cytisine analogues CES2, CDA, PCYT1A LMNA 2856/4885CCR1 320/4885CCR8 263/4885
US-20230203038-A1 4-SUBSTITUED CYTISINE ANALOGUES CES2, CDA, PCYT1A LMNA 2856/4885CCR1 320/4885CCR8 263/4885
US-20200172544-A1 COMPOUNDS CES2, CYCS, CHKB LMNA 1777/4885CCR1 588/4885CCR8 414/4885
US-11905287-B2 4-substitued cytisine analogues CES2, CDA, PCYT1A LMNA 2856/4885CCR1 320/4885CCR8 263/4885

“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.