SCHEMBL21097485

SCHEMBL21097485

CN1CN2C(=N1)CCc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 2/20 0.40
▸ LMNA P02545 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HTR2A P28223 3/20 0.38
▸ SLC6A2 P23975 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ SLC22A2 O15244 2/20 0.38
▸ SLC22A1 O15245 2/20 0.38
▸ SLC22A3 O75751 2/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ ADRA2B P18089 2/20 0.38
▸ ADRA2C P18825 2/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ HRH1 P35367 2/20 0.38

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
SCHEMBL2604390 0.68 MAOA (0.52) LMNAALDH1A1HTR2ASLC6A2MAPT
SCHEMBL18120574 0.67 SLC6A2 (0.39) SRD5A1LMNAALDH1A1HTR2ASLC6A2
SCHEMBL761241 0.66 MEN1 (0.41) SRD5A1LMNAALDH1A1HTR2ASLC6A2
SCHEMBL15799134 0.62 PRKCQ (0.61) SRD5A1ALDH1A1SMN1; SMN2ALOX15HSD17B3
SCHEMBL30013335 0.62 P2RX4 (0.38) LMNAALDH1A1HTR2ASLC6A2MAPT
SCHEMBL12013898 0.62 HSD17B3 (0.56) LMNAALDH1A1HTR2ASLC6A2MAPT
SCHEMBL142091 0.61 ALDH1A1 (0.59) LMNAALDH1A1HTR2ASLC6A2MAPT
SCHEMBL10128232 0.61 ALDH1A1 (0.52) LMNAALDH1A1HTR2ASLC6A2MAPT
SCHEMBL787597 0.61 ALDH1A1 (0.45) LMNAALDH1A1HTR2ASLC6A2MAPT
SCHEMBL22018905 0.61 HTR2A (0.61) LMNAALDH1A1HTR2ASLC6A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11778898-B2 Carbene metal complexes as OLED materials THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2023-10-03 — — US disclosed
US-20190189937-A1 Carbene Metal Complexes as OLED Materials UNIV SOUTHERN CALIFORNIA (US) 2019-06-20 — — 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 (2 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-20190189937-A1 Carbene Metal Complexes as OLED Materials OCIAD1, OCIAD2, OXA1L SRD5A1 253/4885LMNA 3713/4885ALDH1A1 1914/4885
US-11778898-B2 Carbene metal complexes as OLED materials OCIAD1, OCIAD2, OSTC SRD5A1 422/4885LMNA 3347/4885ALDH1A1 1753/4885

“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.

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