SCHEMBL14074964

SCHEMBL14074964

C=NOCn1nnc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 8/20 0.54
▸ GRM2 Q14416 2/20 0.51
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TSHR P16473 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ KCNMA1 Q12791 1/20 0.46
▸ EGLN3 Q9H6Z9 1/20 0.46
▸ MGAM O43451 1/20 0.45
▸ AMY1A P0DUB6 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ SI P14410 1/20 0.45
▸ MGAM2 Q2M2H8 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL5017651 0.77 SLC9A1 (0.59) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL12001037 0.77 SLC9A1 (0.59) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL2488643 0.77 SLC9A1 (0.65) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL29479886 0.77 SLC9A1 (0.65) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL3463660 0.75 SLC9A1 (0.57) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL822764 0.75 SLC9A1 (0.56) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL730354 0.74 SLC9A1 (0.66) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL260406 0.74 SLC9A1 (0.66) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL31234269 0.74 SLC9A1 (0.70) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL1774497 0.74 SLC9A1 (0.70) SLC9A1GRM2RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 — — US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 — — US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 — — US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 — — US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 — — US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 — — US disclosed
WO-2008014221-A2 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2008-01-31 — — WO disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 — — US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 — — US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 — — US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 — — US disclosed
WO-2007115278-A2 3,6,11-TRICYCLOLIDE ENANTA PHARMACEUTICALS, INC. (US) 2007-10-11 — — WO disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 — — US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 — — 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 (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-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 SLC9A1 990/4885GRM2 4728/4885RAB9A 730/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 SLC9A1 1656/4885GRM2 4664/4885RAB9A 1263/4885

“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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