SCHEMBL17693545

SCHEMBL17693545

CN(Cc1cncc(Br)c1)C(=O)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.46
CYP11B1 P15538 1/20 0.46
POLB P06746 2/20 0.40
RIPK1 Q13546 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 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
SCHEMBL16619456 0.80 POLB (0.44) POLBRIPK1L3MBTL1SMN1; SMN2MAPT
SCHEMBL22105710 0.75 RAB9A (0.41) POLBRIPK1L3MBTL1SMN1; SMN2MAPT
SCHEMBL1749636 0.73 KMT2A (0.56) POLBL3MBTL1SMN1; SMN2HTTKMT2A
SCHEMBL7669950 0.73 KDM4E (0.38) POLBRIPK1L3MBTL1SMN1; SMN2MAPT
SCHEMBL5152701 0.73 HTR2C (0.40) POLBRIPK1L3MBTL1SMN1; SMN2MAPT
SCHEMBL3723569 0.72 CHRNB2 (0.47) POLBSMN1; SMN2MAPTHTTKMT2A
SCHEMBL26522756 0.72 POLB (0.49) POLBRIPK1L3MBTL1SMN1; SMN2HTT
SCHEMBL7669955 0.71 SMN1; SMN2 (0.38) SMN1; SMN2MAPTHTTKMT2AKDM4E
SCHEMBL26522945 0.71 KMT2A (0.50) POLBRIPK1SMN1; SMN2HTTKMT2A
SCHEMBL17695593 0.71 CYP11B2 (0.47) CYP11B2CYP11B1SMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745289-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
US-9745289-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
WO-2016061161-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-21 WO disclosed
US-20160108026-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-21 US disclosed
US-20160108026-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-21 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 (1 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-20160108026-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, HSD11B1 CYP11B2 5/4885CYP11B1 2/4885POLB 2559/4885

“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.