SCHEMBL305906

SCHEMBL305906

CC(C)(C)OC(=O)Cc1ccc2c(=O)occc2c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NR1D1 P20393 8/20 0.34
▸ MTNR1A P48039 5/20 0.34
▸ MTNR1B P49286 5/20 0.34
▸ NR1H3 Q13133 1/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CYP3A43 Q9HB55 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ RAB9A P51151 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GLA P06280 1/20 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
SCHEMBL307059 0.82 CYP1A2 (0.41) KDM4EMAPTGLASMN1; SMN2
SCHEMBL10169775 0.77 TRPV1 (0.38) KDM4EHPGDMEN1ALDH1A1TSHR
SCHEMBL16396996 0.72 ALDH1A1 (0.49) HPGDMEN1ALDH1A1TSHRKMT2A
SCHEMBL16397045 0.71 MTNR1A (0.43) NR1D1MTNR1AMTNR1BNR1H3MAPT
SCHEMBL27745915 0.71 ALDH1A1 (0.43) ALDH1A1KMT2ANR1D1MTNR1AMTNR1B
SCHEMBL29805599 0.71 ALDH1A1 (0.43) ALDH1A1KMT2ANR1D1MTNR1AMTNR1B
SCHEMBL306896 0.70 ALDH1A1 (0.47) KDM4EALDH1A1TSHRKMT2AMAPT
SCHEMBL306448 0.68 PAX8 (0.34) ALDH1A1MAPTLMNA
SCHEMBL8805015 0.67 MEN1 (0.51) MEN1ALDH1A1TSHRKMT2ACYP2D6
SCHEMBL13696768 0.67 TSHR (0.46) KDM4EALDH1A1TSHRNR1D1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 — — EP disclosed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 — — EP disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 — — US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 — — US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 — — US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 — — US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 — — US disclosed
EP-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 — — EP disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 — — US disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 — — US disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 — — WO disclosed
EP-1933622-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-06-25 — — EP disclosed
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 — — WO disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 — — US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 — — 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 (3 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-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KDM4E 4307/4885HPGD 362/4885HSD17B10 4051/4885
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KDM4E 4128/4885HPGD 368/4885HSD17B10 4009/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KDM4E 4128/4885HPGD 368/4885HSD17B10 4009/4885

“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.

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