SCHEMBL1150600

SCHEMBL1150600

NC1CCc2c(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
SCHEMBL1879560 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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-04-12 US claimed
EP-2780324-B1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-05-17 EP claimed
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. 2016-11-03 US claimed
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 US claimed
US-20240398772-A1 OXASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU NHWA PHARMACEUTICAL CO., LTD (CN) 2024-12-05 US disclosed
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 WO disclosed
US-20230357219-A1 PREPARATION OF BIARYL RING-LINKED AROMATIC HETEROCYCLIC DERIVATIVE AS IMMUNOMODULATOR AND USE THEREOF SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2023-11-09 US disclosed
US-20210108245-A1 Enantioselective Biocatalytic Preparation of 4-Cyano-Substituted 1-Aminoindane and Ozanimod PHARMAZELL GMBH (DE) 2021-04-15 US disclosed
US-20210108245-A1 Enantioselective Biocatalytic Preparation of 4-Cyano-Substituted 1-Aminoindane and Ozanimod PHARMAZELL GMBH (DE) 2021-04-15 US disclosed
CN-112513048-A Sulfonylimide compounds as inhibitors of interleukin-1 activity 豪夫迈·罗氏有限公司 2021-03-16 CN disclosed
EP-3775253-A1 ENANTIOSELECTIVE BIOCATALYTIC PREPARATION OF 4-CYANO-SUBSTITUTED 1-AMINOINDANE AND OZANIMOD Pharmazell GmbH (DE) 2021-02-17 EP disclosed
CN-111971398-A Enantioselective biocatalytic preparation of 4-cyano-substituted 1-aminoindan and azanidod 泽尔制药有限公司 2020-11-20 CN disclosed
US-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES ALLERGAN, INC. 2008-10-16 US disclosed
US-7375126-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2008-05-20 US disclosed
EP-1843820-A1 MULTICYCLIC BIS-AMIDE MMP INHIBITORS Alantos Pharmaceuticals, Inc. (US) 2007-10-17 EP disclosed
WO-2006083454-A1 MULTICYCLIC BIS-AMIDE MMP INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed
US-20060173183-A1 Multicyclic bis-amide MMP inhibitors ALANTOS PHARMACEUTICALS, INC., 2006-08-03 US disclosed
EP-1658269-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2006-05-24 EP disclosed
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-02-24 US disclosed
WO-2004111009-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2004-12-23 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-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES PDE3A, PDE2A, PDE3B IL1RN 3889/4885ERAP2 939/4885ERAP1 1556/4885
US-20230357219-A1 PREPARATION OF BIARYL RING-LINKED AROMATIC HETEROCYCLIC DERIVATIVE AS IMMUNOMODULATOR AND USE THEREOF PDCD1, CD274, PDCD1LG2 IL1RN 60/4885ERAP2 4766/4885ERAP1 4563/4885
US-20060173183-A1 Multicyclic bis-amide MMP inhibitors MMP13, MMP3, MMP11 IL1RN 420/4885ERAP2 181/4885ERAP1 196/4885
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B IL1RN 2112/4885ERAP2 3316/4885ERAP1 2640/4885
US-20240398772-A1 OXASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF OGFR, OPRL1, OPRM1 IL1RN 368/4885ERAP2 1422/4885ERAP1 1625/4885
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE7A, PDE5A, PDE2A IL1RN 2794/4885ERAP2 881/4885ERAP1 492/4885
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B IL1RN 2165/4885ERAP2 3308/4885ERAP1 2632/4885
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ARRB1, TRPV1, TRPV5 IL1RN 412/4885ERAP2 3068/4885ERAP1 2351/4885

“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.