SCHEMBL21484499

SCHEMBL21484499

CCn1cc(CCNC)ncc1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
SLC6A2 P23975 1/20 0.33
CACNA2D1 P54289 1/20 0.33
PLK1 P53350 1/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
CREBBP Q92793 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
SCHEMBL27369136 0.83 KDM5B (0.37) ALDH1A1MAPTCREBBP
SCHEMBL21476010 0.80 HRH3 (0.40) HRH3LMNAALDH1A1TAAR1ALOX15
SCHEMBL24664733 0.73 SORT1 (0.33) ALDH1A1MEN1MAPTKMT2ACREBBP
SCHEMBL22757227 0.72 BRD4 (0.44) HRH3LMNAALDH1A1CREBBP
SCHEMBL3986304 0.70 ALDH1A1 (0.38) LMNAALDH1A1PLK1MEN1MAPT
SCHEMBL1908661 0.69 CPB2 (0.43) HRH3LMNAALDH1A1TAAR1ALOX15
SCHEMBL1913121 0.65 HRH3 (0.60) HRH3LMNAALDH1A1TAAR1ALOX15
SCHEMBL30500455 0.63 KDM5B (0.38) HRH3ALDH1A1TDP1MAPTHRH4
SCHEMBL14384748 0.63 HRH3 (0.43) HRH3LMNAALDH1A1TAAR1ALOX15
SCHEMBL14385625 0.63 CPB2 (0.56) HRH3LMNAALDH1A1TAAR1ALOX15

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-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

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-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 HRH3 553/4885LMNA 2383/4885ALDH1A1 1361/4885
US-10759756-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 HRH3 841/4885LMNA 2538/4885ALDH1A1 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.