SCHEMBL696750

SCHEMBL696750

O=C(N1CCNCC1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
CHKA P35790 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CHRNB3 Q05901 1/20 0.45
CHRNA6 Q15825 1/20 0.45
PKM P14618 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
HSD11B1 P28845 1/20 0.38
HPGD P15428 1/20 0.37
EPHX1 P07099 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
POLB P06746 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
SCHEMBL3828888 0.98 CA2 (0.46) CA2CA12CA1CA9CHKA
SCHEMBL3100695 0.98 CA2 (0.46) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL6898768 0.98 CA2 (0.46) CA2CA12CA1CA9CHKA
SCHEMBL3827972 0.98 CA2 (0.46) CA2CA12CA1CA9CHKA
Trifluoroacetic Acid SCHEMBL22233151 0.94 PKM (0.47) CA2CA12CA1CA9CHKA
SCHEMBL28950008 0.92 CA2 (0.50) CA2CA12CA1CA9CHKA
SCHEMBL14044902 0.90 CA2 (0.48) CA2CA12CA1CA9CHKA
SCHEMBL29201246 0.90 CA2 (0.41) CA2CA12CA1CA9CHKA
SCHEMBL3832932 0.88 CA2 (0.47) CA2CA12CA1CA9CHKA
SCHEMBL3833764 0.88 CA2 (0.47) CA2CA12CA1CA9CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930957-A Trifluoro acetyl piperazine modified polyarylpiperidine film, preparation method thereof and application thereof in neutral organic flow battery 中盐金坛盐化有限责任公司 2025-05-06 CN claimed
EP-3489238-B1 PHARMACEUTICAL COMPOSITIONS OF 6H-PYRIDO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-5-ONE AND [1,2,4]TRIAZOLO[1,5-C]PTERIDIN-5(6H)-ONE DERIVATIVES AS PDE1 INHIBITORS FOR TREATING E.G. NEUROLOGICAL DISORDERS DART NEUROSCIENCE CAYMAN LTD (KY) 2021-10-13 EP claimed
EP-2861603-B1 6-Benzyl-6H-pyrido[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-one and 6-benzyl-[1,2,4]triazolo[1,5-c]pteridin-5(6H)-one derivatives as PDE1 inhibitors for treating e.g. neurological disorders DART NEUROSCIENCE CAYMAN LTD (KY) 2018-12-19 EP claimed
EP-4735438-A2 HETEROBIFUNCTIONAL COMPOUNDS FOR THE DEGRADATION OF KRAS Merck Patent GmbH (DE) 2026-05-06 EP disclosed
US-20260092061-A1 COMPOUNDS FOR TARGETED PROTEIN DEGRADATION AMPHISTA THERAPEUTICS LTD (GB) 2026-04-02 US disclosed
CN-119930957-A Trifluoro acetyl piperazine modified polyarylpiperidine film, preparation method thereof and application thereof in neutral organic flow battery 中盐金坛盐化有限责任公司 2025-05-06 CN disclosed
CN-119930957-A Trifluoro acetyl piperazine modified polyarylpiperidine film, preparation method thereof and application thereof in neutral organic flow battery 中盐金坛盐化有限责任公司 2025-05-06 CN disclosed
CN-119930957-A Trifluoro acetyl piperazine modified polyarylpiperidine film, preparation method thereof and application thereof in neutral organic flow battery 中盐金坛盐化有限责任公司 2025-05-06 CN disclosed
US-12275727-B2 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof 280 BIO, INC. (US) 2025-04-15 US disclosed
US-20250042889-A1 3CLPRO PROTEASE INHIBITOR SHANGHAI QILU PHARMACEUTICAL RESEARCH AND DEVELOPMENT CENTRE LTD. (CN) 2025-02-06 US disclosed
US-20250011291-A1 KEAP1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2025-01-09 US disclosed
WO-2002034745-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-05-02 WO disclosed
US-6258360-B1 BENZOATE CONJUGATES; ANTITUMOR AGENTS IGEN INTERNATIONAL, INC. 2001-07-10 US disclosed
CN-1065245-C Substituted tetracyclic oxazepine and thiazepine derivatives having affinity for 5-HT2 receptors JANSSEN PHARMACEUTICA NV (BE) 2001-05-02 CN disclosed
CN-1162313-A Substituted tetracyclic azepine derivatives having affinity for 5-HT2 receptors JANSSEN PHARMACEUTICA NV (BE) 1997-10-15 CN disclosed
CN-1162314-A Substituted tetraazazepine * and thiaza * derivatives having affinity for the 5-HT2 receptor JANSSEN PHARMACEUTICA NV (BE) 1997-10-15 CN disclosed
EP-0746336-A1 PRODRUGS ACTIVATED BY TARGETED CATALYTIC PROTEINS IGEN, INC. (US) 1996-12-11 EP disclosed
EP-0746336-A4 PRODRUGS ACTIVATED BY TARGETED CATALYTIC PROTEINS IGEN INC (US) 1996-07-26 EP disclosed
WO-1993002703-A1 PRODRUGS ACTIVATED BY TARGETED CATALYTIC PROTEINS IGEN, INC. (US) 1993-02-18 WO disclosed
US-4416884-A ANTIBIOTIC, BACTERICIDE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-22 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 (4 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-12275727-B2 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof PARG, CYP3A5, CYP11B1 CA2 4434/4885CA12 4152/4885CA1 4642/4885
US-20250042889-A1 3CLPRO PROTEASE INHIBITOR ACE, ACE2, CTRL CA2 1890/4885CA12 2134/4885CA1 1802/4885
US-20260092061-A1 COMPOUNDS FOR TARGETED PROTEIN DEGRADATION BCL9L, RBBP9, BRD9 CA2 4203/4885CA12 4358/4885CA1 4296/4885
US-20250011291-A1 KEAP1 INHIBITORS AND USES THEREOF KEAP1, NFE2L2, NQO1 CA2 4545/4885CA12 4863/4885CA1 4860/4885

“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.