SCHEMBL3335699

SCHEMBL3335699

O=C=NC1(OCc2ccccc2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
DHFR P00374 1/20 0.33

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
SCHEMBL18543270 0.98 CTSL (0.36) TSHROPRM1OPRD1OPRK1OPRL1
SCHEMBL8283036 0.72 DDB1 (0.48) CTSLCTSBCTSSKMT2A
SCHEMBL26621192 0.71 TSHR (0.35) TSHROPRM1OPRD1OPRK1OPRL1
SCHEMBL11540623 0.70 TSHR (0.41) TSHROPRM1OPRD1OPRK1OPRL1
SCHEMBL6141294 0.70 TSHR (0.41) TSHROPRM1OPRD1OPRK1OPRL1
SCHEMBL10942039 0.70 TSHR (0.44) TSHROPRM1OPRD1OPRK1OPRL1
SCHEMBL8483408 0.69 CTSS (0.55) CTSLCTSBCTSS
SCHEMBL3411538 0.68 MAOA (0.45) TSHROPRM1OPRD1OPRK1OPRL1
SCHEMBL21638945 0.68 TSHR (0.43) TSHROPRM1OPRD1OPRK1OPRL1
SCHEMBL3251840 0.68 ALDH1A1 (0.33) TSHROPRM1OPRD1MAOAMAOB

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-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 US disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 US disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 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 (3 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-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD TSHR 414/4885OPRM1 1813/4885OPRD1 1677/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD TSHR 414/4885OPRM1 1813/4885OPRD1 1677/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD TSHR 414/4885OPRM1 1813/4885OPRD1 1677/4885

“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.