SCHEMBL3826438

SCHEMBL3826438

O=C1c2ccccc2C(=O)N1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
FPR1 P21462 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 5/20 0.38
CHRM2 P08172 1/20 0.38
OPRM1 P35372 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
IKZF3 Q9UKT9 1/20 0.38
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR2 P34972 1/20 0.38
HPGD P15428 2/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL28364744 0.84 ERCC1 (0.47) SMN1; SMN2MEN1KMT2ANPSR1ALDH1A1
SCHEMBL30685188 0.82 OGFRL1 (0.41) SMN1; SMN2MEN1KMT2ANPSR1ALDH1A1
SCHEMBL27354994 0.82 OGFRL1 (0.41) SMN1; SMN2MEN1KMT2ANPSR1ALDH1A1
SCHEMBL22239400 0.81 ALDH1A1 (0.40) SMN1; SMN2TSHRMAPK1ALDH1A1CHRM2
SCHEMBL7803028 0.81 CES1 (0.43) EPHX2NPSR1ALDH1A1CYP1A2MAPT
SCHEMBL2557909 0.78 EPHX2 (0.56) EPHX2SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL28486082 0.77 KEAP1 (0.43) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL22291950 0.74 KMT2A (0.49) SMN1; SMN2TSHRMAPK1MEN1KMT2A
SCHEMBL31668593 0.73 GAA (0.40) SMN1; SMN2FPR1MEN1KMT2ANPSR1
SCHEMBL12904736 0.73 GAA (0.40) SMN1; SMN2FPR1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210277018-A1 NEW CRBN MODULATORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-09-09 US disclosed
CN-104693039-B A kind of amantadine analog derivative and its preparation method and application 中山大学 2016-11-16 CN disclosed
US-9029695-B2 Heteroaromatic semiconducting polymers RAYNERGY TEK INC. (TW) 2015-05-12 US disclosed
US-20140353628-A1 Heteroaromatic Semiconducting polymers RAYNERGY TEK INC. (TW) 2014-12-04 US disclosed
EP-2094649-A2 MATERIALS AND METHODS FOR CO-CRYSTAL CONTROLLED SOLID-STATE SYNTHESIS OF IMIDES AND IMINES University of South Florida (US) 2009-09-02 EP disclosed
WO-2008073613-A2 MATERIALS AND METHODS FOR CO-CRYSTAL CONTROLLED SOLID-STATE SYNTHESIS OF IMIDES AND IMINES UNIVERSITY OF SOUTH FLORIDA (US) 2008-06-19 WO disclosed
US-20080146772-A1 MATERIALS AND METHODS FOR CO-CRYSTAL CONTROLLED SOLID-STATE SYNTHESIS OF IMIDES AND IMINES UNIVERSITY OF SOUTH FLORIDA (US) 2008-06-19 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 (1 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-20210277018-A1 NEW CRBN MODULATORS CRBN, CRKL, CDR2 EPHX2 4083/4885SMN1; SMN2 512/4885TSHR 3250/4885

“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.