SCHEMBL1969320

SCHEMBL1969320

CCc1cc(CC)c(N2CCN(c3c(CC)cc(CC)cc3CC)C2)c(CC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.35
DRD2 P14416 4/20 0.35
DRD4 P21917 4/20 0.35
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
DRD3 P35462 4/20 0.35
HTR6 P50406 1/20 0.34
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 2/20 0.32
THRB P10828 1/20 0.32
HSPA5 P11021 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
REV1 Q9UBZ9 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL28670605 0.84 HTR1A (0.46) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL28660347 0.76 KMT2A (0.34) MAPTKDM4ENPC1RAB9AKMT2A
SCHEMBL16386026 0.75 NPSR1 (0.42) HTR2AMAPTKMT2AMEN1
SCHEMBL6002463 0.73 LMNA (0.31) TP53
SCHEMBL20968795 0.73 POLB (0.38)
SCHEMBL28660336 0.71 LMNA (0.46) MAPTKMT2AMEN1
SCHEMBL15902670 0.67 MGLL (0.52) MAPT
SCHEMBL2014395 0.65 DRD2 (0.39) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL14228541 0.64 HTR1A (0.51) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL2228767 0.64 HSPA5 (0.39) MAPTKDM4ENPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131343-A1 MICROWAVE-ASSISTED SYNTHESIS OF N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES UNIVERSITY OF HAWAII (US) 2013-05-23 US claimed
WO-2011071881-A2 MICROWAVE-ASSISTED SYNTHESIS OF N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES UNIVERSITY OF HAWAII (US) 2011-06-16 WO claimed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US claimed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US claimed
US-11066434-B2 Metal complexes comprising aniline type ligands UMICORE AG & CO. KG 2021-07-20 US disclosed
US-20200239504-A1 METAL COMPLEXES COMPRISING ANILINE TYPE LIGANDS UMICORE AG & CO. KG (DE) 2020-07-30 US disclosed
US-20130131343-A1 MICROWAVE-ASSISTED SYNTHESIS OF N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES UNIVERSITY OF HAWAII (US) 2013-05-23 US disclosed
WO-2011071881-A2 MICROWAVE-ASSISTED SYNTHESIS OF N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES UNIVERSITY OF HAWAII (US) 2011-06-16 WO 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 (4 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-20130131343-A1 MICROWAVE-ASSISTED SYNTHESIS OF N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES NDC1, NUDC, SMARCC2 HTR1A 1252/4885DRD2 2717/4885DRD4 3008/4885
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions NDC1, DDC, PDCD1LG2 HTR1A 4057/4885DRD2 1366/4885DRD4 1545/4885
US-20200239504-A1 METAL COMPLEXES COMPRISING ANILINE TYPE LIGANDS SQLE, SOAT1, SOAT2 HTR1A 2299/4885DRD2 347/4885DRD4 370/4885
US-11066434-B2 Metal complexes comprising aniline type ligands SQLE, SOAT1, SOAT2 HTR1A 2299/4885DRD2 347/4885DRD4 370/4885

“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.