SCHEMBL16616213

SCHEMBL16616213

CC(C)Oc1c(C=O)cc(Br)c(-c2ccc(F)cc2)c1F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGS2 P35354 3/20 0.31
ALDH1A3 P47895 1/20 0.30

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
SCHEMBL16616364 0.85 PRKDC (0.38) ERN1ALDH1A1MAPTPTGS2
SCHEMBL16670446 0.84 AR (0.33) ERN1MAPT
SCHEMBL16056203 0.82 LMNA (0.42) ERN1ALDH1A1MAPTLMNANPSR1
SCHEMBL16616131 0.80 ALOX5AP (0.33) ERN1ALDH1A1MAPTPTGS2
SCHEMBL28060593 0.76 ERN1 (0.35) ERN1ALDH1A1MAPTLMNAPTGS2
SCHEMBL16055317 0.75 ERN1 (0.44) ERN1ALDH1A1MAPT
SCHEMBL38651684 0.71 ALDH1A3 (0.37) ERN1MAPTLMNAALOX12NPSR1
SCHEMBL16616530 0.71 SSTR5 (0.35) ERN1
SCHEMBL8322837 0.69 ALDH1A1 (0.56) ERN1ALDH1A1MAPT
SCHEMBL18003978 0.69 ERN1 (0.47) ERN1ALDH1A1MAPTALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066359-A1 SOMATOSTATIN RECEPTOR SUBTYPE 5 ANTAGONISTS, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-02-27 US disclosed
WO-2023125486-A1 SOMATOSTATIN RECEPTOR SUBTYPE 5 ANTAGONISTS, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2023-07-06 WO disclosed
WO-2023125486-A1 SOMATOSTATIN RECEPTOR SUBTYPE 5 ANTAGONISTS, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2023-07-06 WO disclosed
CN-116354961-A Somatostatin receptor 5 antagonist, and pharmaceutical composition and application thereof 中国科学院上海药物研究所 2023-06-30 CN disclosed
EP-3063139-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-21 EP disclosed
EP-3055309-B1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) TAKEDA PHARMACEUTICALS CO (JP) 2018-06-13 EP disclosed
US-9751878-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-05 US disclosed
EP-3063139-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-09-07 EP disclosed
US-20160237087-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-18 US disclosed
EP-3055309-A1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) Takeda Pharmaceutical Company Limited (JP) 2016-08-17 EP disclosed
US-9353108-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-31 US disclosed
US-9120777-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-01 US disclosed
WO-2015064083-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 WO disclosed
US-20150119412-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-30 US disclosed
WO-2015052910-A1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 WO disclosed
US-20150099777-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-09 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 (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-20150099777-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR4, SSTR2 ERN1 3408/4885ALDH1A1 3197/4885MAPT 3648/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 ERN1 3437/4885ALDH1A1 3012/4885MAPT 3598/4885
US-20150119412-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR4, SSTR2 ERN1 3448/4885ALDH1A1 3306/4885MAPT 3571/4885
US-20250066359-A1 SOMATOSTATIN RECEPTOR SUBTYPE 5 ANTAGONISTS, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF SSTR5, SSTR2, SSTR3 ERN1 3260/4885ALDH1A1 4271/4885MAPT 3797/4885

“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.