SCHEMBL13154658

SCHEMBL13154658

c1ccc2c(c1)Cc1cc3c(cc1C2)NCC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.46
DRD4 P21917 4/20 0.46
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
DRD1 P21728 5/20 0.43
HTR2C P28335 1/20 0.41
PDPK1 O15530 1/20 0.41
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
DRD5 P21918 4/20 0.39
DRD3 P35462 3/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
PNMT P11086 1/20 0.38
CD44 P16070 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL4496862 0.80 DRD2 (0.56) DRD2DRD4PDPK1PARP1PARP10
SCHEMBL6582387 0.78 DRD2 (0.50) DRD2DRD4HTR2CPARP1PARP10
SCHEMBL5755884 0.75 ALDH1A1 (0.56) DRD2DRD4ALOX15HSD17B10HTR2C
SCHEMBL4504545 0.74 DRD2 (0.47) DRD2DRD4ALOX15HSD17B10ALDH1A1
Indoline SCHEMBL29360339 0.73
Indoline SCHEMBL5629 0.73
SCHEMBL13154685 0.72 ALDH1A1 (0.53) DRD2DRD4ALOX15HSD17B10HTR2C
Fluorene SCHEMBL28106539 0.72 PDPK1 (0.50) DRD2DRD4ALOX15HSD17B10HTR2C
Indoline SCHEMBL23295083 0.72 HTR2C (0.50) DRD2DRD4ALOX15HSD17B10HTR2C
Indoline SCHEMBL6872936 0.72 HTR2C (0.50) DRD2DRD4ALOX15HSD17B10HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11980086-B2 Use of transition metal carbene complexes in organic light-emitting diodes (OLEDs) UDC IRELAND LIMITED (IE) 2024-05-07 US disclosed
US-20240074302-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) UDC IRELAND LTD (IE) 2024-02-29 US disclosed
US-20140309428-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF SE (DE) 2014-10-16 US disclosed
US-7803948-B2 Method for the isomerisation of transition metal complexes containing cyclometallated, carbene ligands BASF AKTIENGESELLSCHAFT (DE) 2010-09-28 US disclosed
US-20080200686-A1 Method for the Isomerisation of Transition Metal Complexes Containing Cyclometallated, Carbene Ligands BASF AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
US-20080018221-A1 Use Of Transition Metal Carbene Complexes In Organic Light-Emitting Diodes (Oleds) BASF AKTIENGESELLSCHAFT (DE) 2008-01-24 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 (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-20080200686-A1 Method for the Isomerisation of Transition Metal Complexes Containing Cyclometallated, Carbene Ligands SCO2, CYC1, CHRM1 DRD2 1488/4885DRD4 996/4885ALOX15 769/4885
US-11980086-B2 Use of transition metal carbene complexes in organic light-emitting diodes (OLEDs) OCIAD2, OCIAD1, ICOSLG DRD2 10/4885DRD4 17/4885ALOX15 23/4885
US-20080018221-A1 Use Of Transition Metal Carbene Complexes In Organic Light-Emitting Diodes (Oleds) OCIAD2, OCIAD1, ICOSLG DRD2 10/4885DRD4 17/4885ALOX15 23/4885
US-20240074302-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) OCIAD2, OCIAD1, ICOSLG DRD2 10/4885DRD4 17/4885ALOX15 23/4885

“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.