SCHEMBL3521279

SCHEMBL3521279

O=c1n(CC2CO2)nnn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
DHFR P00374 1/20 0.42
TP53 P04637 2/20 0.42
HBB P68871 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ROCK2 O75116 3/20 0.40
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA3 P0DMS8 3/20 0.36
CYP2C19 P33261 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
PKM P14618 1/20 0.35
POLB P06746 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL9779798 0.74 TSHR (0.50) TSHRSMN1; SMN2ROCK2ALDH1A1LMNA
SCHEMBL10844281 0.74 TSHR (0.50) TSHRSMN1; SMN2ROCK2ALDH1A1MEN1
SCHEMBL3523570 0.72 L3MBTL1 (0.71) SMN1; SMN2ROCK2ALDH1A1LMNAL3MBTL1
SCHEMBL14507901 0.71 TP53 (0.57) DHFRTP53HBBSMN1; SMN2ALDH1A1
SCHEMBL10523507 0.71 TP53 (0.47) TSHRDHFRTP53HBBSMN1; SMN2
SCHEMBL1715940 0.71 TP53 (0.62) DHFRTP53HBBSMN1; SMN2ALDH1A1
SCHEMBL18432812 0.71 ALDH1A1 (0.47) TSHRTP53SMN1; SMN2ROCK2ALDH1A1
SCHEMBL7981665 0.71 ALDH1A1 (0.39) TSHRDHFRTP53SMN1; SMN2ALDH1A1
SCHEMBL8335732 0.70 ADRB2 (0.43) TSHRROCK2ALDH1A1LMNAL3MBTL1
SCHEMBL5821147 0.69 ALDH1A1 (0.56) DHFRSMN1; SMN2ALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 TSHR 3539/4885DHFR 3951/4885TP53 4878/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 TSHR 3539/4885DHFR 3951/4885TP53 4878/4885

“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.