SCHEMBL22968487

SCHEMBL22968487

Cc1ccc2cc(CCc3ccc4cnc(C)nc4c3)cnc2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.42
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
GRM2 Q14416 3/20 0.39
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAOB P27338 1/20 0.34
KLKB1 P03952 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL21360900 0.90 PDGFRB (0.39) PDE10APDGFRBPDGFRAGRM2ALDH1A1
SCHEMBL21338796 0.86 PDGFRB (0.35) PDE10APDGFRBPDGFRAGRM2ALDH1A1
SCHEMBL8404384 0.80 CYP1A2 (0.54) ALDH1A1CYP1A2KMT2ANPSR1KDM4E
SCHEMBL26323741 0.74 PDGFRB (0.45) PDE10APDGFRBPDGFRAMAOBHSD17B10
SCHEMBL21622433 0.74 PDE10A (0.50) PDE10AALDH1A1CYP1A2KMT2ANPSR1
SCHEMBL553758 0.72 PDE10A (0.49) PDE10AALDH1A1CYP1A2KMT2ANPSR1
SCHEMBL15724737 0.72 KMT2A (0.51) PDE10AALDH1A1CYP1A2KMT2ANPSR1
SCHEMBL20155161 0.72 CYP1A2 (0.41) PDE10AGRM2ALDH1A1CYP1A2KMT2A
SCHEMBL22594086 0.71 CYP1A2 (0.39) PDE10AALDH1A1CYP1A2KMT2ANPSR1
SCHEMBL22475741 0.70 PDE10A (0.47) PDE10AALDH1A1CYP1A2KMT2ANPSR1

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-11667667-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 US disclosed
US-20210040140-A1 Steroid Derivative FXR Agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-02-11 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-11667667-B2 Steroid derivative FXR agonist NR1H4, SLC10A1, FXR1 PDE10A 1175/4885PDGFRB 2835/4885PDGFRA 2970/4885
US-20210040140-A1 Steroid Derivative FXR Agonist NR1H4, SLC10A1, FXR1 PDE10A 1175/4885PDGFRB 2835/4885PDGFRA 2970/4885

“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.