SCHEMBL28604201

SCHEMBL28604201

O=C(O)N1CCCCc2cccnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.48
AVPR1A P37288 4/20 0.48
OXTR P30559 3/20 0.48
HDAC6 Q9UBN7 4/20 0.47
HDAC1 Q13547 3/20 0.47
MTNR1A P48039 1/20 0.43
CRBN Q96SW2 2/20 0.43
CYP11B2 P19099 4/20 0.42
GAA P10253 1/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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
SCHEMBL6013073 0.95 HDAC1 (0.48) AVPR2AVPR1AOXTRHDAC6HDAC1
SCHEMBL29362288 0.95 HDAC1 (0.48) AVPR2AVPR1AOXTRHDAC6HDAC1
SCHEMBL29736751 0.89 CRBN (0.51) HDAC6HDAC1MTNR1ACRBNCYP11B2
SCHEMBL18181423 0.89 CRBN (0.51) HDAC6HDAC1MTNR1ACRBNCYP11B2
SCHEMBL29489948 0.81 CYP11B2 (0.61) CYP11B2
SCHEMBL16671108 0.81 CYP11B2 (0.61) CYP11B2
Hydrochloric Acid SCHEMBL30640657 0.80 CYP11B2 (0.60) CYP11B2
SCHEMBL22226808 0.79 POLB (0.44) AVPR2AVPR1AOXTRHDAC6HDAC1
SCHEMBL32676351 0.76 MAPT (0.57) GAAPOLBKDM4EMEN1MAPT
SCHEMBL25921151 0.75 CYP11B2 (0.45) HDAC6HDAC1MTNR1ACRBNCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113226310-B 15-PGDH inhibitors 杏林制药株式会社 2024-03-19 CN disclosed
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-30 US disclosed
CN-113226310-A 15-PGDH inhibitors 杏林制药株式会社 2021-08-06 CN 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-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV AVPR2 776/4885AVPR1A 608/4885OXTR 2315/4885

“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.