SCHEMBL19744586

SCHEMBL19744586

Fc1ccc2c(c1)NCCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FABP6 P51161 1/20 0.49
JAK2 O60674 2/20 0.39
ALK Q9UM73 1/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
NTRK1 P04629 3/20 0.37
NR3C2 P08235 2/20 0.37
NR3C1 P04150 1/20 0.37
AKR1B1 P15121 2/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1A1 P14550 1/20 0.37
PRKCI P41743 1/20 0.36
ROS1 P08922 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
BRD4 O60885 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
SCHEMBL2599652 0.89 ALDH1A1 (0.62) MAPTALDH1A1GAAHSD17B10FABP6
SCHEMBL29469482 0.89 ALDH1A1 (0.62) MAPTALDH1A1GAAHSD17B10FABP6
Hydrochloric Acid SCHEMBL2360497 0.87 ALDH1A1 (0.61) MAPTALDH1A1GAAHSD17B10FABP6
SCHEMBL29429213 0.86 FABP6 (0.45) MAPTALDH1A1GAAHSD17B10FABP6
SCHEMBL17927862 0.86 FABP6 (0.45) MAPTALDH1A1GAAHSD17B10FABP6
SCHEMBL6373230 0.79 MAPT (0.50) MAPTALDH1A1GAAHSD17B10FABP6
SCHEMBL31451377 0.79 ALDH1A1 (0.80) MAPTALDH1A1GAAHSD17B10PDE3B
SCHEMBL14924444 0.79 ALDH1A1 (0.80) MAPTALDH1A1GAAHSD17B10PDE3B
SCHEMBL20612394 0.79 MAPT (0.50) MAPTALDH1A1GAAHSD17B10PDE3B
SCHEMBL17937404 0.78 ALDH1A1 (0.41) MAPTALDH1A1GAAHSD17B10FABP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed
US-20220227699-A1 AROMATIC RING OR HETEROAROMATIC RING DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2022-07-21 US disclosed
WO-2020228436-A1 AROMATIC RING OR HETEROAROMATIC RING DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2020-11-19 WO disclosed
EP-3245198-B1 PYRROLIDINE DERIVATIVES AS ANGIOTENSIN II TYPE 2 ANTAGONISTS NOVARTIS AG (CH) 2020-03-11 EP disclosed
US-10308628-B2 Heterocyclic compounds and methods for their use NOVARTIS AG (CH) 2019-06-04 US disclosed
US-10065943-B2 Pyrrolidine derivatives as angiotensin II type 2 antagonists NOVARTIS AG (CH) 2018-09-04 US disclosed
US-20180057477-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE NOVARTIS AG (CH) 2018-03-01 US disclosed
WO-2017222083-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 WO disclosed
US-20170369473-A1 PYRROLIDINE DERIVATIVES AS ANGIOTENSIN II TYPE 2 ANTAGONISTS SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-12-28 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 (5 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-10308628-B2 Heterocyclic compounds and methods for their use AGTR2, AGTR1, BDKRB2 MAPT 2746/4885ALDH1A1 1943/4885GAA 3229/4885
US-20220227699-A1 AROMATIC RING OR HETEROAROMATIC RING DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF AGTR2, AGTR1, AVPR2 MAPT 3087/4885ALDH1A1 765/4885GAA 3024/4885
US-20170369473-A1 PYRROLIDINE DERIVATIVES AS ANGIOTENSIN II TYPE 2 ANTAGONISTS AGTR2, AGTR1, AVPR2 MAPT 482/4885ALDH1A1 1954/4885GAA 2970/4885
US-20180057477-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE AGTR2, AGTR1, BDKRB2 MAPT 2777/4885ALDH1A1 1904/4885GAA 3249/4885
US-10065943-B2 Pyrrolidine derivatives as angiotensin II type 2 antagonists AGTR2, AGTR1, ACE2 MAPT 1947/4885ALDH1A1 2233/4885GAA 2594/4885

“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.