SCHEMBL13154646

SCHEMBL13154646

c1cnc2cc3c(cc2n1)CCN3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
AR P10275 3/20 0.35
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA1 P02708 1/20 0.34
ESR1 P03372 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR3A P46098 1/20 0.34
CHRND Q07001 1/20 0.34
CHRNA2 Q15822 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
GFER P55789 1/20 0.33

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 0.78 DRD2 (0.56) DRD2DRD4ALDH1A1MAPTAR
SCHEMBL13154657 0.77 POLB (0.43) DRD2DRD4ALDH1A1MAPTSMN1; SMN2
SCHEMBL13154647 0.77 NPC1 (0.43) DRD2DRD4ALDH1A1MAPTSMN1; SMN2
SCHEMBL720637 0.77 ADCY6 (0.50) DRD2CHRNB4CHRNA3CHRNA1ESR1
Hydrochloric Acid SCHEMBL722803 0.76 ADCY6 (0.48) DRD2ALDH1A1CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL720409 0.76 ADCY6 (0.48) DRD2ALDH1A1CHRNB4CHRNA3CHRNA1
SCHEMBL25310932 0.75 MAPT (0.44) DRD2DRD4ALDH1A1MAPTAR
SCHEMBL25313697 0.75 MAPT (0.44) DRD2DRD4ALDH1A1MAPTAR
SCHEMBL5871560 0.74 DRD2 (0.37) DRD2DRD4ALDH1A1MAPTAR
SCHEMBL13154648 0.72 EGFR (0.39) DRD2DRD4ALDH1A1MAPTNNMT

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 996/4885ALDH1A1 2599/4885
US-11980086-B2 Use of transition metal carbene complexes in organic light-emitting diodes (OLEDs) OCIAD2, OCIAD1, ICOSLG DRD2 10/4885DRD4 17/4885ALDH1A1 1981/4885
US-20080018221-A1 Use Of Transition Metal Carbene Complexes In Organic Light-Emitting Diodes (Oleds) OCIAD2, OCIAD1, ICOSLG DRD2 10/4885DRD4 17/4885ALDH1A1 1981/4885
US-20240074302-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) OCIAD2, OCIAD1, ICOSLG DRD2 10/4885DRD4 17/4885ALDH1A1 1981/4885

“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.