SCHEMBL1879560

SCHEMBL1879560

N[C@@H]1CCc2c(Br)cccc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 2/20 0.49
ERAP2 Q6P179 2/20 0.49
ERAP1 Q9NZ08 2/20 0.49
GID4 Q8IVV7 1/20 0.45
ACHE P22303 2/20 0.44
ANPEP P15144 2/20 0.42
KDM1A O60341 1/20 0.41
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL1150600 1.00 IL1RN (0.49) IL1RNERAP2ERAP1GID4ACHE
SCHEMBL12402720 1.00 IL1RN (0.49) IL1RNERAP2ERAP1GID4ACHE
Hydrochloric Acid SCHEMBL2167605 0.98 IL1RN (0.47) IL1RNERAP2ERAP1GID4ACHE
Hydrochloric Acid SCHEMBL29984305 0.98 IL1RN (0.47) IL1RNERAP2ERAP1GID4ACHE
Hydrochloric Acid SCHEMBL2167296 0.98 IL1RN (0.47) IL1RNERAP2ERAP1GID4ACHE
Hydrochloric Acid SCHEMBL23355920 0.98 IL1RN (0.47) IL1RNERAP2ERAP1GID4ACHE
SCHEMBL17193124 0.89 GID4 (0.42) IL1RNERAP2ERAP1GID4ACHE
SCHEMBL29983834 0.89 GID4 (0.42) IL1RNERAP2ERAP1GID4ACHE
SCHEMBL4019181 0.89 GID4 (0.42) IL1RNERAP2ERAP1GID4ACHE
SCHEMBL4206687 0.89 GID4 (0.42) IL1RNERAP2ERAP1GID4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4685149-A1 NOVEL COMPOUND AS ENDOTHELIAL TO MESENCHYMAL TRANSITION (ENDMT) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Institute of Radiological & Medical Sciences (KR) 2026-01-28 EP disclosed
WO-2024196236-A1 NOVEL COMPOUND AS ENDOTHELIAL TO MESENCHYMAL TRANSITION (ENDMT) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2024-09-26 WO disclosed
WO-2012158550-A9 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2017-10-26 WO disclosed
EP-2844643-B1 PYRIMIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-30 EP disclosed
US-9481659-B2 Selective heterocyclic sphingosine 1 phosphate receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2016-11-01 US disclosed
US-9481659-B2 Selective heterocyclic sphingosine 1 phosphate receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2016-11-01 US disclosed
CN-102724880-B Sphingosine-1-phosphate receptor modulators and chiral synthesis methods 瑞塞普托斯有限责任公司 2016-09-14 CN disclosed
US-9394264-B2 Sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2016-07-19 US disclosed
US-9394264-B2 Sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2016-07-19 US disclosed
US-9394264-B2 Sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2016-07-19 US disclosed
US-8357706-B2 Sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2013-01-22 US disclosed
CN-102753022-A Selective heterocyclic sphingosine 1-phosphate receptor modulators RECEPTOS INC 2012-10-24 CN disclosed
EP-2498611-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS Receptos, Inc. (US) 2012-09-19 EP disclosed
US-20110183953-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS LLC 2011-07-28 US disclosed
US-20110183953-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS LLC 2011-07-28 US disclosed
US-20110178056-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-21 US disclosed
US-20110178056-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-21 US disclosed
US-20110178056-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-21 US disclosed
WO-2011060389-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2011-05-19 WO disclosed
WO-2011060389-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2011-05-19 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 (2 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-20110178056-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 IL1RN 394/4885ERAP2 1967/4885ERAP1 1773/4885
US-20110183953-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 IL1RN 334/4885ERAP2 2011/4885ERAP1 1932/4885

“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.