SCHEMBL797462

SCHEMBL797462

c1ccc(NCC2CC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 5/20 0.60
GRIN2B Q13224 1/20 0.54
CXCR4 P61073 1/20 0.53
FABP1 P07148 1/20 0.52
FABP6 P51161 1/20 0.52
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP2D6 P10635 1/20 0.45

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
SCHEMBL17700541 0.93 GPR39 (0.54) GPR39GRIN2BCXCR4FABP1FABP6
SCHEMBL17700175 0.91 GPR39 (0.56) GPR39GRIN2BCXCR4FABP1FABP6
SCHEMBL17700171 0.88 HIF1A (0.51) GPR39GRIN2BCXCR4FABP1FABP6
SCHEMBL30794445 0.88 HIF1A (0.51) GPR39GRIN2BCXCR4FABP1FABP6
SCHEMBL4720018 0.88 HRH4 (0.51) GPR39GRIN2BCXCR4FABP1FABP6
SCHEMBL13118523 0.87 GRIN2B (0.57) GPR39GRIN2BCXCR4
SCHEMBL31610448 0.84 CXCR4 (0.49) GPR39GRIN2BCXCR4FABP1FABP6
SCHEMBL4522025 0.84 CXCR4 (0.49) GPR39GRIN2BCXCR4FABP1FABP6
Hydrochloric Acid SCHEMBL21641198 0.82 CXCR4 (0.47) GPR39GRIN2BCXCR4FABP1FABP6
Hydrochloric Acid SCHEMBL30585800 0.82 CXCR4 (0.47) GPR39GRIN2BCXCR4FABP1FABP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4370207-B1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES INC (US) 2025-12-17 EP disclosed
US-20240368137-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. 2024-11-07 US disclosed
US-12012398-B2 Bicyclic compounds as androgen receptor modulators NIDO BIOSCIENCES, INC. (US) 2024-06-18 US disclosed
EP-4370207-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Nido Biosciences, Inc. (US) 2024-05-22 EP disclosed
CN-116606292-A Pyrido [1,2-a ] pyrimidinone derivatives containing sulfonamide unit, preparation method and application thereof 贵州大学 2023-08-18 CN disclosed
US-20230039586-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. 2023-02-09 US disclosed
US-20230039586-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. 2023-02-09 US disclosed
WO-2023287704-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. (US) 2023-01-19 WO disclosed
WO-2023287704-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. (US) 2023-01-19 WO disclosed
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 US disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed
US-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 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 (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-20230039586-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 GPR39 263/4885GRIN2B 350/4885CXCR4 2856/4885
US-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GPR39 359/4885GRIN2B 265/4885CXCR4 220/4885
US-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 GPR39 3/4885GRIN2B 3956/4885CXCR4 1021/4885
US-20240368137-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 GPR39 263/4885GRIN2B 350/4885CXCR4 2856/4885
US-12012398-B2 Bicyclic compounds as androgen receptor modulators AR, FSHR, NCOA3 GPR39 207/4885GRIN2B 316/4885CXCR4 2949/4885
US-20100022559-A1 BISOXIMES AS FUNGICIDES DDT, FHIT, CYP4X1 GPR39 3498/4885GRIN2B 1952/4885CXCR4 4462/4885

“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.