SCHEMBL5772700

SCHEMBL5772700

O=C(CCc1cnoc1-c1ccc(F)cc1)N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SCD5 Q86SK9 1/20 0.41
GFER P55789 1/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CCR1 P32246 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
LMNA P02545 1/20 0.38
MC4R P32245 1/20 0.37
PKM P14618 1/20 0.37
USP19 O94966 1/20 0.37

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
SCHEMBL5772145 0.90 DRD2 (0.46) DRD2DRD4DRD3OPRM1OPRK1
SCHEMBL5774084 0.90 DRD2 (0.58) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL5775324 0.88 TACR1 (0.46) MEN1KMT2AGFEROPRD1EPHX2
SCHEMBL5773696 0.87 CA12 (0.40) GFEREPHX2ALDH1A1
SCHEMBL5776036 0.82 LMNA (0.46) MEN1KMT2AALDH1A1LMNAPKM
SCHEMBL5773468 0.82 LMNA (0.46) MEN1KMT2AALDH1A1LMNAPKM
SCHEMBL5774738 0.82 LMNA (0.46) MEN1KMT2AALDH1A1LMNAPKM
Trifluoroacetic Acid SCHEMBL5772610 0.81 GFER (0.53) MEN1KMT2AGFERLMNA
SCHEMBL5774326 0.80 GABRA5 (0.39) MEN1KMT2AGFERALDH1A1CCNC
SCHEMBL5771838 0.80 KDM4E (0.53) MEN1KMT2AGFERALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR DRD2 2788/4885DRD4 2268/4885DRD3 1183/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 DRD2 2833/4885DRD4 2538/4885DRD3 1681/4885

“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.