SCHEMBL653224

SCHEMBL653224

c1ccc(CN2C[C@H]3CNC[C@H]3C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.55
SIGMAR1 Q99720 2/20 0.53
BPTF Q12830 1/20 0.53
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
OPRK1 P41145 1/20 0.48
GRIN2B Q13224 2/20 0.48
KDM1A O60341 1/20 0.48
S1PR1 P21453 1/20 0.47
S1PR5 Q9H228 1/20 0.47

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
SCHEMBL477142 1.00 FUCA1 (0.55) FUCA1SIGMAR1BPTFDRD2DRD3
Hydrochloric Acid SCHEMBL2264027 0.98 FUCA1 (0.53) FUCA1SIGMAR1BPTFDRD2DRD3
Hydrochloric Acid SCHEMBL3018917 0.98 FUCA1 (0.53) FUCA1SIGMAR1BPTFDRD2DRD3
SCHEMBL16344546 0.90 HRH4 (0.49) FUCA1BPTFS1PR1S1PR5
SCHEMBL928351 0.88 SIGMAR1 (0.50) FUCA1SIGMAR1DRD2DRD3GRIN2B
SCHEMBL3784554 0.88 SIGMAR1 (0.50) FUCA1SIGMAR1DRD2DRD3GRIN2B
SCHEMBL6217555 0.88 ACHE (0.55) SIGMAR1DRD2DRD3
SCHEMBL6640228 0.88 ACHE (0.55) SIGMAR1DRD2DRD3
SCHEMBL3777655 0.88 SIGMAR1 (0.50) FUCA1SIGMAR1DRD2DRD3GRIN2B
SCHEMBL3781490 0.88 ACHE (0.55) SIGMAR1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4428136-B1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2025-11-26 EP disclosed
EP-4646197-A2 ORGANIC COMPOUNDS AS NLRP3 INHIBITORS Kodiak Sciences Inc. (US) 2025-11-12 EP disclosed
WO-2025224085-A1 COMPOUNDS CAPABLE OF ACTING ON S1R AS WELL AS ON SEH AND USES THEREOF UNIVERSITAT DE BARCELONA (ES) 2025-10-30 WO disclosed
US-20250243186-A1 PIPERIDINYL INDOLE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF HANSOH BIO LLC. 2025-07-31 US disclosed
US-12162882-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMAC, INC. (US) 2024-12-10 US disclosed
EP-4428136-A2 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2024-09-11 EP disclosed
CN-113038952-B Improved synthetic methods for preparing fused heterocyclic compounds as orexin receptor modulators 詹森药业有限公司 2024-08-23 CN disclosed
CN-118510765-A Piperidinyl indole derivatives, preparation method and medical application thereof 翰森生物有限责任公司 2024-08-16 CN disclosed
WO-2024148029-A2 ORGANIC COMPOUNDS AS NLRP3 INHIBITORS KODIAK SCIENCES INC. (US) 2024-07-11 WO disclosed
US-12030887-B2 Synthetic methods of making fused heterocyclic compounds as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2024-07-09 US disclosed
US-6809105-B2 (CIS)-6-(3-PYRIDINYL)-3,6-DIAZABICYCLO(3.2.0) HEPTANE FOR EXAMPLE; ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, ATTENTION DEFICIT HYPERACTIVITY DISORDER, DEPRESSION, NICOTINIC WITHDRAWAL SYNDROME, TOURETTE'S SYNDROME, AND SCHIZOPHRENIA ABBOTT LABORATORIES 2004-10-26 US disclosed
US-20040186107-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2004-09-23 US disclosed
US-20040053986-A1 3,7-Diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2004-03-18 US disclosed
CN-1440410-A Diazabicyclic central nervous system active agents ABBOTT LAB (US) 2003-09-03 CN disclosed
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 US disclosed
EP-0828741-B1 SPIROCYCLIC AND BICYCLIC DIAZINYL AND CARBAZINYL OXAZOLIDINONES UPJOHN CO (US) 2001-08-29 EP disclosed
US-6107321-A Diazabicyclooctane derivatives having selective 5-HT1Dalpha agonist activity MERCK SHARP & DOHME LTD. (GB) 2000-08-22 US disclosed
US-6090820-A MICROBIOCIDES, BATERICIDES PHARMACIA & UPJOHN COMPANY (US) 2000-07-18 US disclosed
EP-0828741-A1 SPIROCYCLIC AND BICYCLIC DIAZINYL AND CARBAZINYL OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 1998-03-18 EP disclosed
WO-1996035691-A1 SPIROCYCLIC AND BICYCLIC DIAZINYL AND CARBAZINYL OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 1996-11-14 WO 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-20040053986-A1 3,7-Diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias KCNH1, KCNH2, CACNA1E FUCA1 3643/4885SIGMAR1 1091/4885BPTF 4466/4885
US-12162882-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors FGFR1, FGFR3, FGFR2 FUCA1 796/4885SIGMAR1 4534/4885BPTF 80/4885
US-12030887-B2 Synthetic methods of making fused heterocyclic compounds as orexin receptor modulators HCRTR2, HCRTR1, HTR3D FUCA1 4792/4885SIGMAR1 166/4885BPTF 3435/4885
US-20250243186-A1 PIPERIDINYL INDOLE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF IDO1, IDO2, TPH1 FUCA1 1588/4885SIGMAR1 2242/4885BPTF 3417/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 FUCA1 2124/4885SIGMAR1 306/4885BPTF 4658/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 FUCA1 2124/4885SIGMAR1 306/4885BPTF 4658/4885

“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.