SCHEMBL444346

SCHEMBL444346

[c]1ncccc1C1CNCCO1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.39

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
SCHEMBL17654219 0.80
SCHEMBL8216857 0.78 DRD2 (0.40) DRD2DRD3HTR1A
SCHEMBL3763673 0.76 DRD2 (0.37) DRD2DRD3HTR1AHTR2A
SCHEMBL1607384 0.76 HRH1 (0.35)
SCHEMBL1607566 0.74 HRH1 (0.32)
SCHEMBL189493 0.74 DRD2 (0.45) DRD2DRD3HTR1AHTR2A
SCHEMBL1698318 0.73
SCHEMBL3996326 0.73 DRD2 (0.37) DRD2DRD3HTR1AHTR2A
SCHEMBL15415320 0.73 DRD2 (0.38) DRD2DRD3
SCHEMBL2894209 0.72 HTR3A (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-10-19 US claimed
EP-4251615-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 EP claimed
CN-116406362-A Spiro [3.3] heptane derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-07-07 CN claimed
WO-2022112188-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 WO claimed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US claimed
WO-2018052967-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2018-03-22 WO claimed
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP claimed
US-20170273961-A1 NOVEL IMINONITRILE DERIVATIVES CURADEV PHARMA, PVT. LTD. (IN) 2017-09-28 US claimed
EP-3183235-A1 NOVEL IMINONITRILE DERIVATIVES Curadev Pharma Pvt. Ltd. (IN) 2017-06-28 EP claimed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO claimed
WO-2011161009-A1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-29 WO claimed
US-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2011-12-22 US claimed
WO-2011128251-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO claimed
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 US claimed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US claimed
US-7115654-B2 Caspase-1 inhibitors and methods for their use SUNESIS PHARMACEUTICALS, INC. (US) 2006-10-03 US claimed
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 US claimed
US-20040048895-A1 Caspase-1 inhibitors and methods for their use SUNESIS PHARMACEUTICALS, INC. 2004-03-11 US claimed
WO-2003103599-A2 CASPASE-1 INHIBITORS AND METHODS FOR THEIR USE SUNESIS PHARMACEUTICALS, INC. (US) 2003-12-18 WO claimed
US-6646010-B2 Enzyme inhibitors such as N(3-benzyloxycarbonylamino-2-hydroxy -4-phenylbutyl)-N-isoamylamine, used for prophylaxis of viral diseases and infections; lymphadenopathy associated virus G. D. SEARLE & CO. 2003-11-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR1I3, NR1H4 DRD2 3044/4885DRD3 1248/4885HTR1A 3105/4885
US-20040048895-A1 Caspase-1 inhibitors and methods for their use CASP1, CASP2, CASP9 DRD2 3953/4885DRD3 3001/4885HTR1A 646/4885
US-20170273961-A1 NOVEL IMINONITRILE DERIVATIVES UGT1A4, XDH, CYP4B1 DRD2 665/4885DRD3 840/4885HTR1A 396/4885
US-20040229917-A1 Imidazole derivatives GRIK4, GRIA4, GRIK5 DRD2 111/4885DRD3 195/4885HTR1A 32/4885
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 DRD2 126/4885DRD3 82/4885HTR1A 116/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 DRD2 4746/4885DRD3 4329/4885HTR1A 2718/4885
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 DRD2 4118/4885DRD3 4136/4885HTR1A 3478/4885
US-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS ADORA3, ADORA2A, HTR3A DRD2 78/4885DRD3 84/4885HTR1A 7/4885

“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.