SCHEMBL22757290

SCHEMBL22757290

CCn1cc(CC2CC(F)(F)C2)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.33
HSD11B1 P28845 3/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP2C9 P11712 2/20 0.31
HTT P42858 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
NPY5R Q15761 1/20 0.30
BMPR1B O00238 1/20 0.30
BMPR1A P36894 1/20 0.30
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 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
SCHEMBL21484162 0.81 CREBBP (0.34) CREBBPHTTDPP4DPP7BMPR1B
SCHEMBL21484165 0.79 PTGS2 (0.37) HSD11B1CYP2C19CYP2C9NPY5RBMPR1B
SCHEMBL12217560 0.71 CREBBP (0.42) CREBBPHTTBMPR1BBMPR1AACVRL1
SCHEMBL21476022 0.71 PTGS2 (0.35) HSD11B1CYP2C19CYP2C9BMPR1BBMPR1A
SCHEMBL24665804 0.69 CREBBP (0.38) CREBBPCYP2C9
SCHEMBL27369130 0.69 MGLL (0.43) CREBBPHTT
SCHEMBL22757287 0.67 HRH3 (0.43) CREBBPDPP4DPP7
SCHEMBL16190092 0.64 NPY5R (0.39) CREBBPNPY5RBMPR1BBMPR1AACVRL1
SCHEMBL20148737 0.63 RET (0.39) CREBBPHSD11B1DPP4DPP7
SCHEMBL22812251 0.63 RET (0.41) CREBBPHSD11B1HTTBMPR1BBMPR1A

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 CREBBP 4108/4885HSD11B1 3581/4885CYP3A4 2115/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 CREBBP 4161/4885HSD11B1 3073/4885CYP3A4 1074/4885

“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.