Sugi Predict

Sugi Predict / Compounds / SCHEMBL240100

SCHEMBL240100

SCHEMBL240100

C[C@@H]1CN(c2c(F)cc(N)cc2F)C[C@H](C)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ HTT P42858 1/20 0.46
▸ TSHR P16473 2/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PDE3B Q13370 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL29209046 1.00 KDM4E (0.46) KDM4EHTTTSHRPIK3CAMTOR
SCHEMBL6209260 0.81 MAOA (0.34) ALDH1A1MAPTMAOALMNATDP1
SCHEMBL236762 0.80 KDM4E (0.35) KDM4EHTTALDH1A1KMT2AMAPT
SCHEMBL30279090 0.80 ALDH1A1 (0.41) KDM4EHTTTSHRPIK3CAMTOR
SCHEMBL13972767 0.80 ALDH1A1 (0.41) KDM4EHTTTSHRPIK3CAMTOR
SCHEMBL13105522 0.79 KDM4E (0.44) KDM4EHTTTSHRALDH1A1KMT2A
SCHEMBL3563045 0.79 SCN9A (0.38) HTTKMT2AMAOAMEN1
SCHEMBL18396703 0.79 MTOR (0.36) PIK3CAMTORMAOA
SCHEMBL13370661 0.78 HTT (0.54) KDM4EHTTTSHRPIK3CAMTOR
SCHEMBL16671146 0.78 HTT (0.54) KDM4EHTTTSHRPIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 — — US disclosed
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 — — EP disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 — — US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 — — US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 — — US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — US disclosed
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 — — EP disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 — — US disclosed
US-20150087618-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-03-26 — — US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 — — US disclosed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 — — US disclosed
EP-2692346-A1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative Abbvie Inc. (US) 2014-02-05 — — EP disclosed
EP-2692726-A1 Anti-viral compounds Abbvie Inc. (US) 2014-02-05 — — EP disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 — — US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 — — US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 — — US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 — — US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 — — US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 — — 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 (12 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R KDM4E 1765/4885HTT 1625/4885TSHR 117/4885
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885HTT 1821/4885TSHR 4834/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885HTT 1821/4885TSHR 4834/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R KDM4E 1334/4885HTT 1507/4885TSHR 152/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885HTT 1821/4885TSHR 4834/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885HTT 1821/4885TSHR 4834/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885HTT 1821/4885TSHR 4834/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885HTT 1821/4885TSHR 4834/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885HTT 1821/4885TSHR 4834/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885HTT 1821/4885TSHR 4834/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885HTT 1821/4885TSHR 4834/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885HTT 1821/4885TSHR 4834/4885

“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.