SCHEMBL25946331

SCHEMBL25946331

CC[C@]1(C)CNCc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
PNMT P11086 1/20 0.38
CD44 P16070 1/20 0.38
MAOB P27338 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1B P35368 1/20 0.37
HTR2C P28335 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX12 P18054 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL11537869 0.80 KDM4E (0.44) KMT2AADRA2AADRA2BADRA2CADRA1B
SCHEMBL18322409 0.77 PNMT (0.43) KMT2APNMTCD44MAOBHTR2C
Hydrochloric Acid SCHEMBL18706568 0.76 PNMT (0.42) KMT2APNMTCD44MAOBHTR2C
SCHEMBL23966212 0.75 BRD4 (0.52) KMT2AADRA2AADRA2BADRA2CADRA1B
SCHEMBL23981768 0.71 KMT2A (0.41) KMT2AHTR2CALOX12KDM4ECYP2C19
SCHEMBL20351801 0.71 PNMT (0.38) KMT2APNMTCD44MAOBHTR2C
SCHEMBL18611005 0.69 BRD4 (0.43) KMT2AADRA2AADRA2BADRA2CADRA1B
SCHEMBL1011335 0.69 ALDH1A1 (0.52) KMT2APNMTCD44MAOBALOX12
SCHEMBL29789782 0.69 ALDH1A1 (0.52) KMT2APNMTCD44MAOBALOX12
SCHEMBL18322610 0.68 OXTR (0.43) KMT2APNMTCD44MAOBADRA2A

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-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH KMT2A 4577/4885PNMT 3435/4885CD44 3989/4885

“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.