SCHEMBL4779

SCHEMBL4779

O=C(NC1CC1)c1cccc(Br)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.52
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
GRM5 P41594 2/20 0.50
CNR2 P34972 3/20 0.48
PRKAA2 P54646 2/20 0.48
CNR1 P21554 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46
CD38 P28907 1/20 0.45
MLLT1 Q03111 1/20 0.45
PARP1 P09874 1/20 0.44
P2RX7 Q99572 1/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3508894 0.94 HSD11B1 (0.61) HSD11B1ALDH1A1HPGDGRM5CNR2
SCHEMBL3508899 0.94 HSD11B1 (0.61) HSD11B1ALDH1A1HPGDGRM5CNR2
SCHEMBL24150310 0.94 HSD11B1 (0.60) HSD11B1ALDH1A1HPGDGRM5CNR2
SCHEMBL6083571 0.93 CD38 (0.49) HSD11B1ALDH1A1HPGDGRM5CNR2
SCHEMBL6083575 0.93 CD38 (0.49) HSD11B1ALDH1A1HPGDGRM5CNR2
SCHEMBL2593387 0.92 HSD11B1 (0.63) HSD11B1ALDH1A1CNR2CNR1PARP1
SCHEMBL24149920 0.90 CNR2 (0.59) HSD11B1ALDH1A1HPGDGRM5CNR2
SCHEMBL24150891 0.90 SMYD3 (0.49) HSD11B1ALDH1A1HPGDGRM5CNR2
SCHEMBL30039553 0.89 CD38 (0.60) HSD11B1ALDH1A1HPGDGRM5CNR2
SCHEMBL24148772 0.87 HSD11B1 (0.51) HSD11B1ALDH1A1HPGDGRM5PRKAA2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066393-B2 Indolin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2021-07-20 US disclosed
US-11066393-B2 Indolin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2021-07-20 US disclosed
CN-108349944-B Indolin-2-one derivatives 豪夫迈·罗氏有限公司 2021-03-30 CN disclosed
US-20200299278-A1 INDOLIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
US-20200299278-A1 INDOLIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
US-10710985-B2 Indolin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2020-07-14 US disclosed
US-10710985-B2 Indolin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2020-07-14 US disclosed
EP-3371168-B1 INDOLIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-05-27 EP disclosed
EP-3371168-B1 INDOLIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-05-27 EP disclosed
EP-3371168-A1 INDOLIN-2-ONE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-09-12 EP disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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 (4 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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 HSD11B1 2258/4885ALDH1A1 3990/4885HPGD 2086/4885
US-10710985-B2 Indolin-2-one derivatives GRIN2B, GRIN2A, TPH2 HSD11B1 410/4885ALDH1A1 599/4885HPGD 2366/4885
US-11066393-B2 Indolin-2-one derivatives GRIN2B, GRIN2A, TPH2 HSD11B1 410/4885ALDH1A1 599/4885HPGD 2366/4885
US-20200299278-A1 INDOLIN-2-ONE DERIVATIVES GRIN2B, GRIN2A, TPH2 HSD11B1 410/4885ALDH1A1 599/4885HPGD 2366/4885

“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.