SCHEMBL22757227

SCHEMBL22757227

CCn1cc(CCN2CCOCC2)ncc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
POLB P06746 1/20 0.40
HRH3 Q9Y5N1 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
SCN1A P35498 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN2A Q99250 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SCN3A Q9NY46 1/20 0.38

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
SCHEMBL21484499 0.72 HRH3 (0.38) CREBBPHRH3ALDH1A1LMNA
SCHEMBL29921644 0.71 HRH3 (0.76) POLBHRH3CYP1A2CYP2D6ALDH1A1
SCHEMBL15806388 0.71 HRH3 (0.76) POLBHRH3CYP1A2CYP2D6ALDH1A1
SCHEMBL13257862 0.71 HRH3 (0.50) CREBBPPOLBHRH3SMN1; SMN2CYP1A2
SCHEMBL10174114 0.69 ALDH1A1 (0.54) HRH3SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL24664733 0.68 SORT1 (0.33) CREBBPALDH1A1
SCHEMBL21813123 0.68 TSHR (0.50) POLBHRH3SMN1; SMN2CYP1A2CYP2D6
SCHEMBL15972046 0.68 HRH3 (0.47) POLBHRH3SMN1; SMN2CYP1A2CYP2D6
SCHEMBL29036789 0.68 HRH3 (0.47) POLBHRH3CYP1A2CYP2D6ALDH1A1
SCHEMBL15183914 0.68 HRH3 (0.47) HRH3CYP1A2CYP2D6ALDH1A1KDM4E

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-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 (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-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 BRD4 442/4885CREBBP 4161/4885POLB 3556/4885

“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.