SCHEMBL21133924

SCHEMBL21133924

C[C@@H]1C[C@H](I)c2ncccc21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
GSK3B P49841 1/20 0.30

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
SCHEMBL19251208 0.85 HTR2A (0.36) HTR2AHTR2CHTR2BGSK3B
SCHEMBL19250878 0.82 HTR2A (0.42) HTR2AHTR2CHTR2BMEN1ALDH1A1
SCHEMBL11886343 0.82 HTR2A (0.42) HTR2AHTR2CHTR2BMEN1ALDH1A1
SCHEMBL19250881 0.82 HTR2A (0.42) HTR2AHTR2CHTR2BMEN1ALDH1A1
SCHEMBL19251265 0.82 HTR2A (0.42) HTR2AHTR2CHTR2BMEN1ALDH1A1
SCHEMBL27094595 0.78 P2RX7 (0.41) HTR2AHTR2CHTR2B
SCHEMBL27094569 0.78 P2RX7 (0.41) HTR2AHTR2CHTR2B
SCHEMBL27094563 0.78 P2RX7 (0.41) HTR2AHTR2CHTR2B
SCHEMBL19851847 0.75 HTR2A (0.38) HTR2AHTR2CHTR2BMEN1ALDH1A1
SCHEMBL6177530 0.75 HTR2A (0.36) HTR2AHTR2CHTR2BKMT2AGSK3B

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-10344024-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-09 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-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC HTR2A 4068/4885HTR2C 4366/4885HTR2B 3313/4885

“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.