SCHEMBL21476719

SCHEMBL21476719

CC(C)N1CC[C@@H](C2CC2)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL20707906 1.00 HRH3 (0.33) HRH3ALDH1A1
SCHEMBL21477613 1.00 HRH3 (0.33) HRH3ALDH1A1
SCHEMBL2741646 1.00 HRH3 (0.33) HRH3ALDH1A1
SCHEMBL22317563 0.95 HRH3 (0.35) HRH3ALDH1A1
SCHEMBL25089472 0.92 HRH3 (0.34) HRH3ALDH1A1
SCHEMBL2741649 0.91 CNR2 (0.33) HRH3ALDH1A1
SCHEMBL2603329 0.91 ALDH1A1 (0.36) HRH3ALDH1A1
SCHEMBL23231154 0.91 ALDH1A1 (0.36) HRH3ALDH1A1
SCHEMBL13910210 0.91 ALDH1A1 (0.36) HRH3ALDH1A1
SCHEMBL12869723 0.91 ALDH1A1 (0.36) HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 US disclosed
US-10759756-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2020-09-01 US disclosed
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2019-10-17 US disclosed
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 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 (4 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-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 HRH3 553/4885ALDH1A1 1361/4885
US-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 HRH3 556/4885ALDH1A1 1457/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 HRH3 553/4885ALDH1A1 1361/4885
US-10759756-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 HRH3 841/4885ALDH1A1 1396/4885

“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.