SCHEMBL3922344

SCHEMBL3922344

FC(F)(F)c1cnc(N2CCNCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ADRB1 P08588 3/20 0.53
TAAR1 Q96RJ0 1/20 0.49
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2C P28335 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
IDH2 P48735 1/20 0.46
ADRB2 P07550 1/20 0.46
NCF1 P14598 1/20 0.46
EPHX2 P34913 1/20 0.45
OGA O60502 3/20 0.43
HRH1 P35367 1/20 0.42

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
Hydrochloric Acid SCHEMBL17541517 0.98 ALDH1A1 (0.56) ALDH1A1KDM4EADRB1TAAR1HTR3E
Hydrochloric Acid SCHEMBL21522534 0.98 ALDH1A1 (0.56) ALDH1A1KDM4EADRB1TAAR1HTR3E
SCHEMBL24962980 0.93 SMN1; SMN2 (0.48) ALDH1A1KDM4EADRB1TAAR1HTR3E
Hydrochloric Acid SCHEMBL25263680 0.92 KDM4E (0.50) ALDH1A1KDM4EADRB1TAAR1HTR3E
SCHEMBL30165165 0.86 OGA (0.44) ALDH1A1KDM4EADRB1TAAR1IDH2
SCHEMBL6785729 0.84 ADRB1 (0.49) ALDH1A1KDM4EADRB1TAAR1HTR3E
SCHEMBL24968333 0.82 OGA (0.46) KDM4EMAPTIDH2OGAPARP1
SCHEMBL12412584 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EADRB1TAAR1HTR3A
SCHEMBL26118874 0.81 ADRB1 (0.43) ALDH1A1KDM4EADRB1HTR3EHTR3B
SCHEMBL23341097 0.81 OGA (0.45) KDM4EMAPTIDH2OGASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336629-A1 Tricyclic Derivatives Useful As PARP7 Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-10-10 US claimed
EP-4743446-A1 NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA Board of Trustees of Michigan State University (US) 2026-05-20 EP disclosed
US-20260109686-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS AZKARRA THERAPEUTICS, INC. (US) 2026-04-23 US disclosed
EP-4100410-B1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES INC (US) 2026-04-22 EP disclosed
EP-4656636-A1 CRYSTAL FORM AND USE OF PARP 7 INHIBITOR AND SALT THEREOF QILU PHARMACEUTICAL CO., LTD. (CN) 2025-12-03 EP disclosed
US-20250346579-A1 PYRIDAZINONE COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2025-11-13 US disclosed
EP-4644385-A1 TIPARP INHIBITOR COMPOUNDS AbbVie Inc. (US) 2025-11-05 EP disclosed
US-20250333394-A1 Tiparp Inhibitor Compounds ABBVIE INC. (US) 2025-10-30 US disclosed
EP-4594314-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS Azkarra Therapeutics, Inc. (US) 2025-08-06 EP disclosed
US-20250163030-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2025-05-22 US disclosed
US-20050059668-A1 Substituted acylpiperazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 US disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO disclosed
WO-2004072086-A2 ANTIPARASITIC TERPENE ALKALOIDS PFIZER LIMITED (GB) 2004-08-26 WO disclosed
US-5314884-A Antidepressants, anxiolytic agents TROPONWERKE GMBH & CO. (DE) 1994-05-24 US disclosed
US-5187276-A Anxiolytics, neuroleptics, antidepressants, and nootropic agents TROPONWERKE GMBH & CO. KG. (DE) 1993-02-16 US disclosed
US-4988809-A CENTRAL NERVOUS SYSTEM TROPONWERKE GMBH & CO., KG (DE) 1991-01-29 US disclosed
EP-0129128-B1 2-PYRIMIDINYL-1-PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Troponwerke GmbH & Co. KG (DE) 1990-11-22 EP disclosed
US-4937343-A NEUROLEPTICS OR ANTIDEPRESSANTS TROPONWERKE GMBH & CO. KG (DE) 1990-06-26 US disclosed
US-4818756-A CENTRAL NERVOUS SYSTEM DISORDERS TROPONWERKE GMBH & CO., KG (DE) 1989-04-04 US disclosed
EP-0129128-A2 2-Pyrimidinyl-1-piperazine derivatives, process for their preparation and medicines containing them Troponwerke GmbH & Co. KG (DE) 1984-12-27 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 (6 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-20050059668-A1 Substituted acylpiperazine derivatives AGPAT5, ACHE, GRIK5 ALDH1A1 395/4885KDM4E 1377/4885ADRB1 407/4885
US-20250346579-A1 PYRIDAZINONE COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF CYP4F11, WEE1, CYP4A11 ALDH1A1 1894/4885KDM4E 2788/4885ADRB1 1439/4885
US-20260109686-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS PARP2, PARP1, PARP11 ALDH1A1 1213/4885KDM4E 3606/4885ADRB1 509/4885
US-20250163030-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 ALDH1A1 401/4885KDM4E 3408/4885ADRB1 569/4885
US-20250333394-A1 Tiparp Inhibitor Compounds TIPARP, TIPRL, TPP1 ALDH1A1 2086/4885KDM4E 1783/4885ADRB1 4277/4885
US-20240336629-A1 Tricyclic Derivatives Useful As PARP7 Inhibitors PARP1, PARP2, PARP11 ALDH1A1 1842/4885KDM4E 1388/4885ADRB1 2224/4885

“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.