SCHEMBL2354258

SCHEMBL2354258

CC(C)(C)N1CC2(CCN(C(=O)O)CC2)c2cc(F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.43
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MC4R P32245 3/20 0.37
GNRHR P30968 1/20 0.36
NOTUM Q6P988 2/20 0.34
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
NPY5R Q15761 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RIPK1 Q13546 1/20 0.34
TACR1 P25103 1/20 0.34
MC1R Q01726 2/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34

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
SCHEMBL16860905 0.85 RBP4 (0.37) NOTUMSLC18A3SIGMAR1NPY5RHDAC1
SCHEMBL5411480 0.85 SLC18A3 (0.46) AKT1GNRHRNOTUMSLC18A3SIGMAR1
SCHEMBL5411477 0.85 SLC18A3 (0.46) AKT1GNRHRNOTUMSLC18A3SIGMAR1
SCHEMBL12790804 0.78 AKT1 (0.47) AKT1NOTUMHDAC1HDAC6
SCHEMBL12790855 0.75 CYP2C9 (0.36) AKT1TACR1
SCHEMBL12791831 0.72 KMT2A (0.34) SLC18A3SIGMAR1HDAC1HDAC6
SCHEMBL13209368 0.72 NOTUM (0.54) NOTUMNPY5RHDAC1HDAC6
SCHEMBL1587044 0.72 NPY5R (0.44) NOTUMNPY5R
SCHEMBL12790809 0.72 AKT1 (0.35) AKT1
SCHEMBL12790862 0.72 AKT1 (0.35) AKT1

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 AKT1 2961/4885PSEN1 3883/4885PSEN2 4164/4885
US-20120295931-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS PKD2, PKD1, PIR AKT1 2961/4885PSEN1 3883/4885PSEN2 4164/4885

“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.