SCHEMBL3138664

SCHEMBL3138664

c1ccc2cc(N3CCNCC3)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 1.00
HTR3E A5X5Y0 4/20 1.00
HTR3B O95264 4/20 1.00
HTR3D Q70Z44 4/20 1.00
HTR3C Q8WXA8 4/20 1.00
SIGMAR1 Q99720 3/20 1.00
HTR5A P47898 1/20 1.00
HTR1A P08908 4/20 0.66
HTR1D P28221 1/20 0.66
HTR1B P28222 1/20 0.66
ADRB1 P08588 8/20 0.59
HTR7 P34969 3/20 0.56
LTA4H P09960 1/20 0.56
HTR2C P28335 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
SLC6A4 P31645 2/20 0.53
HTT P42858 2/20 0.53
HTR6 P50406 2/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL30870394 1.00 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL29688470 0.98 HTR3A (0.96) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL15708159 0.98 HTR3A (0.96) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL1781288 0.83 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL29594813 0.82 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL3534699 0.82 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL15707949 0.81 HTR3E (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL15534306 0.81 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL15534114 0.80 HTR3A (0.67) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL12806786 0.80 HTR3A (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010179-A4 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO INC (US) 2009-05-06 EP claimed
EP-2010179-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-01-07 EP claimed
WO-2007120718-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-10-25 WO claimed
US-20250109103-A1 (2,5-DIOXOPYRROLIDIN-1-YL)(PHENYL)-ACETAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISEASES UNIWERSYTET JAGIELLONSKI (PL) 2025-04-03 US disclosed
US-12139458-B2 (2,5-dioxopyrrolidin-1-yl)(phenyl)-acetamide derivatives and their use in the treatment of neurological diseases UNIWERSYTET JAGIELLONSKI (PL) 2024-11-12 US disclosed
CN-113272292-B (2, 5-dioxopyrrolidin-1-yl) (phenyl) -acetamide derivatives and their use in the treatment of neurological diseases 雅盖隆大学 2024-04-12 CN disclosed
US-20220073461-A1 (2,5-DIOXOPYRROLIDIN-1-YL)(PHENYL)-ACETAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISEASES WARSZAWSKI UNIWERSYTET MEDYCZNY (PL) 2022-03-10 US disclosed
EP-3908580-A1 (2,5-DIOXOPYRROLIDIN-1-YL)(PHENYL)-ACETAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISEASES UNIWERSYTET JAGIELLONSKI (PL) 2021-11-17 EP disclosed
CN-113272292-A (2, 5-dioxopyrrolidin-1-yl) (phenyl) -acetamide derivatives and their use in the treatment of neurological diseases 雅盖隆大学 2021-08-17 CN disclosed
EP-3428162-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 EP disclosed
EP-2170334-B1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION UNIV EMORY (US) 2021-03-17 EP disclosed
CN-1178530-A Compounds having an effect on 5-hydroxytryptamine related systems LILLY CO ELI (US) 1998-04-08 CN disclosed
EP-0773937-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1997-05-21 EP disclosed
US-5627196-A ANTIDEPRESSANTS AND ANTISEROTONIN AGENTS ELI LILLY AND COMPANY (US) 1997-05-06 US disclosed
US-5614523-A INDOLYLOXY COMPOUNDS ELI LILLY AND COMPANY (US) 1997-03-25 US disclosed
US-5576321-A ALKOXY-SUBSTITUTED INDOLES ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
WO-1996022290-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1996-07-25 WO disclosed
EP-0722941-A2 Compounds having effects on serotonin-related systems ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
WO-1996002525-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1996-02-01 WO disclosed
US-4695383-A COPOLYAMIDE FROM A DIAMINODIPHENYL SULFONE TOYO BOSEKI KABUSHIKI KAISHA (JP) 1987-09-22 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 (3 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-20220073461-A1 (2,5-DIOXOPYRROLIDIN-1-YL)(PHENYL)-ACETAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISEASES TRPV5, P2RX5, TRPV1 HTR3A 1673/4885HTR3E 1577/4885HTR3B 1735/4885
US-12139458-B2 (2,5-dioxopyrrolidin-1-yl)(phenyl)-acetamide derivatives and their use in the treatment of neurological diseases TRPV5, P2RX5, TRPV1 HTR3A 1673/4885HTR3E 1577/4885HTR3B 1735/4885
US-20250109103-A1 (2,5-DIOXOPYRROLIDIN-1-YL)(PHENYL)-ACETAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISEASES TRPV5, SCN5A, P2RX5 HTR3A 1866/4885HTR3E 1775/4885HTR3B 1950/4885

“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.