SCHEMBL608253

SCHEMBL608253

CCCn1cccc(Br)c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRM2 Q14416 14/20 0.39
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CNR1 P21554 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
SCHEMBL1441164 0.84 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10GRM2HDAC3
SCHEMBL21595152 0.81 HDAC3 (0.39) ALDH1A1TSHRHSD17B10HDAC3HDAC4
SCHEMBL12263459 0.80 HTR2C (0.44) NPC1ALDH1A1
SCHEMBL23863507 0.79 HDAC3 (0.41) CNR2ALDH1A1TSHRHSD17B10HDAC3
SCHEMBL1346196 0.78 PKM (0.46) CNR2NPC1RAB9AGRM2
SCHEMBL21130547 0.78 HDAC3 (0.40) CNR2NPC1RAB9AALDH1A1TSHR
SCHEMBL9453861 0.77 EGLN1 (0.53) CNR2NPC1RAB9AALDH1A1GRM2
SCHEMBL1129736 0.77 HDAC3 (0.40) CNR2ALDH1A1TSHRHSD17B10HDAC3
SCHEMBL27739326 0.76 HDAC3 (0.35) ALDH1A1TSHRHSD17B10HDAC3HDAC4
SCHEMBL21594935 0.76 ALDH1A1 (0.35) NPC1RAB9AALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421273-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2025-09-23 US disclosed
US-20240132533-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENT THERAPEUTICS LIMITED (CN) 2024-04-25 US disclosed
CN-112888696-B Exonuclease inhibitors and methods of use thereof 德琪医疗有限公司 2024-04-16 CN disclosed
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENT THERAPEUTICS LIMITED (CN) 2024-01-02 US disclosed
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENT THERAPEUTICS LIMITED (CN) 2024-01-02 US disclosed
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-26 US disclosed
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
CN-112888696-A Exonucleotidase inhibitors and methods of use thereof 卡利泰拉生物科技公司 2021-06-01 CN disclosed
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2019-12-26 US disclosed
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-05-28 US disclosed
US-20140005400-A1 NEW AZACYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2014-01-02 US disclosed
US-8552024-B2 Azacyclic compounds HOFFMAN-LA ROCHE INC. (US) 2013-10-08 US disclosed
EP-2603510-A1 NEW AZACYCLIC COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012020035-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 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 (9 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-20240132533-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 CNR2 158/4885NPC1 885/4885RAB9A 3127/4885
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 CNR2 158/4885NPC1 885/4885RAB9A 3127/4885
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 CNR2 158/4885NPC1 885/4885RAB9A 3127/4885
US-12421273-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 CNR2 158/4885NPC1 885/4885RAB9A 3127/4885
US-20140005400-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC CNR2 854/4885NPC1 620/4885RAB9A 2930/4885
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 CNR2 158/4885NPC1 885/4885RAB9A 3127/4885
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 CNR2 158/4885NPC1 885/4885RAB9A 3127/4885
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC CNR2 854/4885NPC1 620/4885RAB9A 2930/4885
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC CNR2 854/4885NPC1 620/4885RAB9A 2930/4885

“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.