SCHEMBL11912

SCHEMBL11912

CC1CCCN(C2CCCN(C)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.38
ADRA1A P35348 5/20 0.34
HTR2B P41595 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3R5 Q8WYR1 1/20 0.32
PIK3R3 Q92569 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL12449680 1.00 ALDH1A1 (0.39) ALDH1A1LMNAADRA1AHTR2BTMEM97
SCHEMBL12449694 1.00 ALDH1A1 (0.39) ALDH1A1LMNAADRA1AHTR2BTMEM97
SCHEMBL27292954 0.92 ALDH1A1 (0.46) ALDH1A1LMNAADRA1ASMN1; SMN2
SCHEMBL26743104 0.88 ALDH1A1 (0.41) ALDH1A1LMNAADRA1ASMN1; SMN2MEN1
SCHEMBL26743105 0.88 LMNA (0.36) ALDH1A1LMNAHTR2BTMEM97ATM
SCHEMBL8438938 0.84 LMNA (0.35) ALDH1A1LMNAHTR2BTMEM97ATM
SCHEMBL24480309 0.84 ALDH1A1 (0.39) ALDH1A1LMNAADRA1ASMN1; SMN2MEN1
SCHEMBL18379019 0.83 ALDH1A1 (0.39) ALDH1A1LMNAHTR2BTMEM97ATM
SCHEMBL18379098 0.83 ALDH1A1 (0.39) ALDH1A1LMNAHTR2BTMEM97ATM
SCHEMBL10998371 0.83 ADRA1A (0.40) ALDH1A1LMNAADRA1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357193-A1 COMPOUND CAPABLE OF INHIBITING AND DEGRADING ANDROGEN RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICAL USES THEREOF XIZANG HAISCO PHARMACEUTICALS CO., LTD. (CN) 2023-11-09 US disclosed
US-20230357193-A1 COMPOUND CAPABLE OF INHIBITING AND DEGRADING ANDROGEN RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICAL USES THEREOF XIZANG HAISCO PHARMACEUTICALS CO., LTD. (CN) 2023-11-09 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO 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-20230357193-A1 COMPOUND CAPABLE OF INHIBITING AND DEGRADING ANDROGEN RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICAL USES THEREOF AR, CYP17A1, KLK3 ALDH1A1 861/4885LMNA 1905/4885ADRA1A 274/4885

“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.