SCHEMBL16600524

SCHEMBL16600524

O=C(N1CCC2(CC1)CNC2)N1CCC2(CC1)CNC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
CHKA P35790 1/20 0.41
NAMPT P43490 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.38
HSD17B10 Q99714 1/20 0.36
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2D6 P10635 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
SCHEMBL2112344 0.84 NAMPT (0.38) NAMPTALDH1A1CYP1A2HSD17B10GABRD
Hydrochloric Acid SCHEMBL2437534 0.82 NAMPT (0.38) NAMPTALDH1A1CYP1A2HSD17B10GABRD
SCHEMBL22358962 0.82 NAMPT (0.38) NAMPTALDH1A1CYP1A2HSD17B10GABRD
SCHEMBL994307 0.82 USP2 (0.47) ALDH1A1CYP1A2HSD17B10CYP2D6
Hydrochloric Acid SCHEMBL29172907 0.80 USP2 (0.46) ALDH1A1CYP1A2HSD17B10CYP2D6
SCHEMBL20669147 0.77 POLB (0.56) NAMPTALDH1A1CYP1A2HSD17B10GABRD
SCHEMBL20669191 0.77 CHRNB2 (0.57) ALDH1A1
SCHEMBL26854533 0.77 CHRNB2 (0.44) NAMPTALDH1A1CYP1A2
SCHEMBL14804556 0.77 EPHX2 (0.40) NAMPTALDH1A1CYP1A2HSD17B10GABRD
SCHEMBL16058241 0.77 CYP2C9 (0.56) ALDH1A1CYP1A2HSD17B10CYP2D6

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
US-10196369-B2 Spirocyclic EBI2 modulators Sanford Burnham Prebys Medical Discovery Institute (US) 2019-02-05 US disclosed
US-20160176875-A1 SPIROCYCLIC EBI2 MODULATORS Sanford Burnham Prebys Medical Discovery Institute 2016-06-23 US disclosed
WO-2015048567-A1 SPIROCYCLIC EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 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-20160176875-A1 SPIROCYCLIC EBI2 MODULATORS HAVCR2, BIRC2, ESR2 CA2 2954/4885CHKA 932/4885NAMPT 3687/4885
US-10196369-B2 Spirocyclic EBI2 modulators HAVCR2, BIRC2, ESR2 CA2 2954/4885CHKA 932/4885NAMPT 3687/4885

“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.