SCHEMBL13875992

SCHEMBL13875992

Cc1cccc2c1N1c3c(ccc4c3N(c3ccccc3C4)C1C)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ ADRA2A P08913 2/20 0.38
▸ DRD1 P21728 2/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SLC22A2 O15244 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ SLC47A2 Q86VL8 1/20 0.38
▸ SLC47A1 Q96FL8 1/20 0.38
▸ HTR2A P28223 5/20 0.36
▸ HTR2C P28335 4/20 0.36
▸ HRH1 P35367 3/20 0.36

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
SCHEMBL13875987 0.85 ALDH1A1 (0.38) ALDH1A1HTR1AADRA2ADRD1SLC6A2
SCHEMBL13875985 0.82 HPGD (0.36) ALDH1A1SLC6A2HPGDSMN1; SMN2HTR2A
SCHEMBL13875974 0.80 ALDH1A1 (0.39) ALDH1A1HTR1AADRA2ADRD1SLC6A2
SCHEMBL13946287 0.76 KDM4E (0.41) ALDH1A1HTR1AADRA2ADRD1SLC6A2
SCHEMBL14770543 0.74 ALDH1A1 (0.44) ALDH1A1HTR1AADRA2ADRD1SLC6A2
SCHEMBL6024750 0.73 HPGD (0.47) ALDH1A1DRD1HPGDSMN1; SMN2HTR2A
SCHEMBL19999692 0.72 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2KMT2ATDP1
SCHEMBL21074258 0.72 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2KMT2ATDP1
SCHEMBL18471325 0.71 HTR2A (0.39) ALDH1A1HTR1AADRA2ADRD1SLC6A2
SCHEMBL13875971 0.68 HTR2C (0.35) SLC6A2HTR2AHTR2CHTR2BAADAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11692131-B2 Heteroleptic transition metal-carbene complexes and their use in organic light-emitting diodes UDC IRELAND LIMITED (IE) 2023-07-04 — — US disclosed
US-8383828-B2 Transition metal complexes comprising one noncarbene ligand and one or two carbene ligands and their use in OLEDs BASF AKTIENGESELLSCHAFT (DE) 2013-02-26 — — US disclosed
US-20090096367-A1 HETEROLEPTIC TRANSITION METAL-CARBENE COMPLEXES AND THEIR USE IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF SE (DE) 2009-04-16 — — US disclosed
US-20090054657-A1 Transition Metal Complexes Comprising One Noncarbene Ligand and One or Two Carbene Ligands and their Use in Oleds BASF SE (DE) 2009-02-26 — — 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 (3 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-20090096367-A1 HETEROLEPTIC TRANSITION METAL-CARBENE COMPLEXES AND THEIR USE IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) OCIAD2, OCIAD1, ICOSLG ALDH1A1 1119/4885HTR1A 1184/4885ADRA2A 3173/4885
US-20090054657-A1 Transition Metal Complexes Comprising One Noncarbene Ligand and One or Two Carbene Ligands and their Use in Oleds OCIAD1, OCIAD2, ICOSLG ALDH1A1 1163/4885HTR1A 1054/4885ADRA2A 3125/4885
US-11692131-B2 Heteroleptic transition metal-carbene complexes and their use in organic light-emitting diodes CLTB, CLTC, CYBA ALDH1A1 1498/4885HTR1A 1350/4885ADRA2A 3472/4885

“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.

Send feedback