SCHEMBL444546

SCHEMBL444546

OC1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
AR P10275 1/20 0.38
USP2 O75604 1/20 0.38
MBTD1 Q05BQ5 1/20 0.37
SLC18A3 Q16572 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
MAPT P10636 1/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
WDR91 A4D1P6 1/20 0.36
ABL1 P00519 1/20 0.35
RORC P51449 2/20 0.35
HPGDS O60760 1/20 0.35
NOTUM Q6P988 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMPD3 Q9NY59 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
SCHEMBL2479186 0.88 AR (0.50) ARCDK1CDK2WDR91ABL1
SCHEMBL17353206 0.88 AR (0.50) ARCDK1CDK2WDR91ABL1
SCHEMBL1664480 0.84 SYK (0.44) L3MBTL3L3MBTL1MAPTCDK2HPGDS
SCHEMBL5795262 0.81
SCHEMBL1031654 0.80 AR (0.36) ARRORCNOTUM
SCHEMBL3537362 0.80 MBTD1 (0.57) L3MBTL3L3MBTL1USP2MBTD1SLC18A3
SCHEMBL17838713 0.80 L3MBTL3 (0.42) L3MBTL3L3MBTL1USP2MBTD1GPR119
SCHEMBL550942 0.78 USP2 (0.55) L3MBTL3L3MBTL1USP2MAPTLMNA
Hydrochloric Acid SCHEMBL1920820 0.78 MBTD1 (0.55) L3MBTL3L3MBTL1USP2MBTD1SLC18A3
SCHEMBL4819092 0.78 L3MBTL1 (0.41) L3MBTL3L3MBTL1USP2MBTD1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GFB (ABC), LLC 2022-12-08 US claimed
CN-114761000-A Substituted 1, 6-naphthyridine inhibitors of CDK5 金翅雀生物公司 2022-07-15 CN claimed
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO claimed
WO-2021067569-A1 SUBSTITUTED 1, 6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2021-04-08 WO claimed
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS SELVITA S.A. (PL) 2018-09-20 US claimed
EP-3356331-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS Selvita S.A. (PL) 2018-08-08 EP claimed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US claimed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO claimed
US-8367673-B2 Substituted diketopiperazines as oxytocin antagonists GLAXO GROUP LIMITED (GB) 2013-02-05 US claimed
CN-102741256-A Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM IND CO LTD 2012-10-17 CN claimed
US-20090186867-A1 Substituted Diketopiperazines As Oxytocin Antagonists GLAXO GROUP LIMITED 2009-07-23 US claimed
US-7514437-B2 Substituted diketopiperazines as oxytocin antagonists SMITHKLINE BEECHAM CORP. (US) 2009-04-07 US claimed
EP-1458393-B1 SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS GLAXO GROUP LTD (GB) 2008-06-25 EP claimed
US-20050148572-A1 Substituted diketopiperazines as oxytocin antagonists GLAXO GROUP LIMITED (GB) 2005-07-07 US claimed
WO-2005000311-A1 SUBSTITUTED DIKETOPIPERAZINES FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA GLAXO GROUP LIMITED (GB) 2005-01-06 WO claimed
EP-1458393-A1 SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-09-22 EP claimed
WO-2003053443-A1 SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2003-07-03 WO claimed
EP-0171037-A2 3-Carbonyl-1-aminoalkyl-1H-indoles useful as analgesics and preparation thereof STERLING WINTHROP INC. (US) 1986-02-12 EP claimed
EP-3856348-B1 PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS ALK2 AND/OR FGFR MODULATORS INCYTE CORP (US) 2024-01-03 EP disclosed
EP-0171037-A2 3-Carbonyl-1-aminoalkyl-1H-indoles useful as analgesics and preparation thereof STERLING WINTHROP INC. (US) 1986-02-12 EP 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-20050148572-A1 Substituted diketopiperazines as oxytocin antagonists OXTR, AVPR2, AVPR1B L3MBTL3 2574/4885L3MBTL1 2352/4885AR 571/4885
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS LDHB, LDHA, PDK1 L3MBTL3 3887/4885L3MBTL1 3923/4885AR 3370/4885
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 CDK5, CDK5R1, PKD1 L3MBTL3 3272/4885L3MBTL1 2207/4885AR 3083/4885
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN L3MBTL3 3296/4885L3MBTL1 3251/4885AR 814/4885
US-20090186867-A1 Substituted Diketopiperazines As Oxytocin Antagonists OXTR, AVPR2, CRH L3MBTL3 3464/4885L3MBTL1 3463/4885AR 774/4885

“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.