SCHEMBL25680697

SCHEMBL25680697

Ic1cn(Cc2ccccc2)nc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.44
HTR2C P28335 1/20 0.41
AADAT Q8N5Z0 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.37
KLKB1 P03952 3/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 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
SCHEMBL25678892 0.81 NPC1 (0.47) CYP19A1HTR2CAADATALDH1A1MAPT
SCHEMBL21543007 0.81 CYP19A1 (0.44) CYP19A1HTR2CAADATALDH1A1MAPT
SCHEMBL21543340 0.75 SCD (0.45) CYP19A1AADATEPHX2KLKB1ADORA3
SCHEMBL22346821 0.71 SMN1; SMN2 (0.52) HTR2CAADATALDH1A1MAPTL3MBTL1
SCHEMBL6034971 0.71 HTR2C (0.40) CYP19A1HTR2CALDH1A1MAPTL3MBTL1
SCHEMBL21542778 0.70 ALDH1A1 (0.42) ALDH1A1KLKB1SCDSCD5DRD4
SCHEMBL6036214 0.70 HTR2C (0.39) CYP19A1HTR2CALDH1A1MAPTL3MBTL1
SCHEMBL31298608 0.69 NPC1 (0.71) CYP19A1ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL1231553 0.69 CNR2 (0.46) CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL24705709 0.69 KLKB1 (0.36) CYP19A1AADATALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203055-A1 FUSED RING COMPOUND AND APPLICATION THEREOF IN MEDICINE BETTA PHARMACEUTICALS CO., LTD (CN) 2023-06-29 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 (1 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-20230203055-A1 FUSED RING COMPOUND AND APPLICATION THEREOF IN MEDICINE VIP, CYP11B2, CYP11B1 CYP19A1 9/4885HTR2C 4362/4885AADAT 4172/4885

“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.