SCHEMBL25489409

SCHEMBL25489409

CC(=N)c1ccc(CNC(=O)[C@@H]2CCN2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.54
HTR2B P41595 3/20 0.54
KDM4E B2RXH2 1/20 0.48
F2 P00734 7/20 0.46
MASP2 O00187 2/20 0.46
HDAC1 Q13547 3/20 0.45
SPHK1 Q9NYA1 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL14542806 0.86 HTR2C (0.52) HTR2CHTR2BKDM4EF2MASP2
SCHEMBL6606024 0.86 F2 (0.61) HTR2CHTR2BF2MASP2
SCHEMBL26397738 0.82 HTR2C (0.59) HTR2CHTR2BKDM4EF2ALDH1A1
Hydrochloric Acid SCHEMBL23452425 0.82 HTR2C (0.50) HTR2CHTR2BKDM4EF2MASP2
Hydrochloric Acid SCHEMBL23452421 0.82 HTR2C (0.50) HTR2CHTR2BKDM4EF2MASP2
SCHEMBL13238639 0.80 HTR2C (0.51) HTR2CHTR2BKDM4EF2MASP2
SCHEMBL8809131 0.80 HTR2C (0.64) HTR2CHTR2BKDM4EF2MASP2
Hydrochloric Acid SCHEMBL5900833 0.79 HTR2C (0.62) HTR2CHTR2BKDM4EF2MASP2
Hydrochloric Acid SCHEMBL5900838 0.79 HTR2C (0.62) HTR2CHTR2BKDM4EF2MASP2
SCHEMBL27441820 0.78 MASP2 (0.44) F2MASP2ALDH1A1SMN1; SMN2

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-11661418-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-05-30 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-11661418-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 HTR2C 3776/4885HTR2B 3978/4885KDM4E 4019/4885

“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.