SCHEMBL2354264

SCHEMBL2354264

CC(C)(C)C1CC2(CCN1C(=O)O)CNc1ccc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
OPRL1 P41146 3/20 0.39
AKR1B1 P15121 7/20 0.35
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
OPRK1 P41145 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1H2 P55055 3/20 0.31
RXRA P19793 2/20 0.31

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
SCHEMBL2352192 0.88 OPRM1 (0.33) OPRM1OPRL1
SCHEMBL16860908 0.87 PRNP (0.36) AKR1B1TP53NR1H2RXRANR1H3
SCHEMBL5798506 0.80 OPRM1 (0.41) OPRM1OPRL1PRKAG1PRKAA1PRKAB1
SCHEMBL1222513 0.80 OPRM1 (0.41) OPRM1OPRL1PRKAG1PRKAA1PRKAB1
SCHEMBL3387388 0.74 MC4R (0.40) OPRM1OPRL1AKR1B1OPRK1PSEN1
SCHEMBL30413500 0.74 OPRM1 (0.36) OPRM1OPRL1PRKAG1PRKAA1PRKAB1
SCHEMBL2354262 0.73 HDAC2 (0.43) SMN1; SMN2
SCHEMBL13837215 0.73 AKR1B1 (0.35) OPRM1OPRL1AKR1B1OPRK1PSEN1
SCHEMBL5579043 0.72 OPRM1 (0.44) OPRM1OPRL1AKR1B1TNKSTNKS2
SCHEMBL16086256 0.72 USP30 (0.45) TNKSTNKS2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598412-B2 Spiroindoline compounds for use as anthelminthics INTERVET INC. (US) 2017-03-21 US disclosed
US-20150057302-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS INTERVET INC. 2015-02-26 US disclosed
EP-2531506-B1 Spiroindoline compounds for use as anthelminthics INTERVET INT BV (NL) 2014-05-14 EP disclosed
EP-2531506-A1 S PIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHI CS Intervet International B.V. (NL) 2012-12-12 EP disclosed
US-20120295931-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS INTERVET INC. 2012-11-22 US disclosed
WO-2011095581-A1 S PIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHI CS INTERVET INTERNATIONAL B.V. (NL) 2011-08-11 WO 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-20150057302-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS PKD2, PKD1, PIR OPRM1 3437/4885OPRL1 715/4885AKR1B1 158/4885
US-20120295931-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS PKD2, PKD1, PIR OPRM1 3437/4885OPRL1 715/4885AKR1B1 158/4885

“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.