SCHEMBL8514968

SCHEMBL8514968

N#Cc1ccc([C@H](N)CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CYP19A1 P11511 4/20 0.40
IDO1 P14902 2/20 0.39
CYP2A6 P11509 2/20 0.39
MMP3 P08254 1/20 0.39
ENPP2 Q13822 1/20 0.39
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GSK3B P49841 2/20 0.37

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
SCHEMBL5900978 1.00 LOXL2 (0.43) LOXL2CA2CA12CA3CA6
SCHEMBL14448531 1.00 LOXL2 (0.43) LOXL2CA2CA12CA3CA6
SCHEMBL391675 0.84 LOXL2 (0.41) LOXL2CA2CA12CA3CA6
SCHEMBL391676 0.84 LOXL2 (0.41) LOXL2CA2CA12CA3CA6
SCHEMBL1444985 0.82 ANPEP (0.41) KDM4E
SCHEMBL15157661 0.79 SLC6A4 (0.52) LOXL2CA2CA12CA3CA6
SCHEMBL14980656 0.79 ANPEP (0.48) LOXL2CA2CA12CA3CA6
Hydrochloric Acid SCHEMBL28699275 0.79 LOXL2 (0.48) LOXL2CA2CA12CA3CA6
SCHEMBL13813062 0.78 CA12 (0.46) LOXL2CA2CA12CA3CA6
Hydrochloric Acid SCHEMBL7649730 0.78 LOXL2 (0.42) LOXL2CA2CA12CA3CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535614-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2022-12-27 US disclosed
US-20210238174-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-08-05 US disclosed
US-10807980-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2020-10-20 US disclosed
US-20200172535-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2020-06-04 US disclosed
US-10399976-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2019-09-03 US disclosed
EP-3527569-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA FOR USE IN TREATING DRYE EYE Vitae Pharmaceuticals, LLC (US) 2019-08-21 EP disclosed
EP-3102576-B1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS INC (US) 2019-04-17 EP disclosed
US-20170260180-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-09-14 US disclosed
US-20170260180-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-09-14 US disclosed
US-9624217-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9266886-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2016-02-23 US disclosed
US-9266886-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2016-02-23 US disclosed
CN-103228649-B Quinazoline methane amide azetidine MERCK PATENT GMBH (DE) 2015-11-25 CN disclosed
US-20150218160-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2015-08-06 US disclosed
WO-2015116904-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2015-08-06 WO disclosed
US-20150218160-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2015-08-06 US disclosed
US-8946247-B2 Quinazoline carboxamide azetidines MERCK PATENT GMBH (DE) 2015-02-03 US disclosed
EP-2643313-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES Merck Patent GmbH (DE) 2013-10-02 EP disclosed
US-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
WO-2012069146-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2012-05-31 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 (8 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-20200172535-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA LOXL2 4083/4885CA2 1302/4885CA12 3438/4885
US-10399976-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA LOXL2 3899/4885CA2 1037/4885CA12 2908/4885
US-20210238174-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA LOXL2 4083/4885CA2 1302/4885CA12 3438/4885
US-20170260180-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA LOXL2 4083/4885CA2 1302/4885CA12 3438/4885
US-10807980-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA LOXL2 4083/4885CA2 1302/4885CA12 3438/4885
US-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES AZI2, NQO2, ABL1 LOXL2 4350/4885CA2 2757/4885CA12 3730/4885
US-11535614-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA LOXL2 4083/4885CA2 1302/4885CA12 3438/4885
US-20150218160-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA LOXL2 4083/4885CA2 1302/4885CA12 3438/4885

“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.