SCHEMBL234944

SCHEMBL234944

Fc1cc(Cl)ccc1N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.55
HTR3E A5X5Y0 4/20 0.55
HTR3B O95264 4/20 0.55
HTR3D Q70Z44 4/20 0.55
HTR3C Q8WXA8 4/20 0.55
ALDH1A1 P00352 1/20 0.53
ADRB1 P08588 5/20 0.52
SIGMAR1 Q99720 2/20 0.52
ADRB2 P07550 1/20 0.51
NCF1 P14598 1/20 0.51
HTR1A P08908 5/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C9 P11712 3/20 0.50
HTR2A P28223 3/20 0.50
HTR7 P34969 3/20 0.50
HTR2B P41595 3/20 0.50
HTR6 P50406 3/20 0.50
HTR2C P28335 2/20 0.50

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
SCHEMBL29772851 1.00 HTR3A (0.55) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL1846343 0.98 HTR3A (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL22533692 0.98 HTR3A (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL31342345 0.94 HTR3A (0.50) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6195611 0.87 HTR3A (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL19385633 0.86 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL24628365 0.83 ALDH1A1 (0.58) ALDH1A1HTT
SCHEMBL232523 0.83 HTR3A (0.60) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL29831886 0.83 HTR3A (0.60) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL1904530 0.81 HTR3A (0.61) 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 155 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. 2023-01-12 US claimed
EP-4058145-A1 HETEROCYCLIC TRPML1 AGONISTS Libra Therapeutics, Inc. (US) 2022-09-21 EP claimed
WO-2021094974-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. (US) 2021-05-20 WO claimed
EP-3821947-A1 HETEROCYCLIC TRPML1 AGONISTS Libra Therapeutics, Inc. (US) 2021-05-19 EP claimed
EP-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP claimed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
US-20240299348-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. 2024-09-12 US disclosed
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US disclosed
US-20230082430-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS C4 THERAPEUTICS, INC. (US) 2023-03-16 US disclosed
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents SOUTHERN RESEARCH INSTITUTE (US) 2023-02-14 US disclosed
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. 2023-01-12 US disclosed
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
WO-2004080981-A1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2004-09-23 WO disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US disclosed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 US disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 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 (9 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-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 HTR3A 447/4885HTR3E 715/4885HTR3B 797/4885
US-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT HTR3A 150/4885HTR3E 509/4885HTR3B 108/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 HTR3A 7/4885HTR3E 40/4885HTR3B 13/4885
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents XDH, PNP, MAVS HTR3A 1228/4885HTR3E 1177/4885HTR3B 664/4885
US-20230104936-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 HTR3A 431/4885HTR3E 297/4885HTR3B 266/4885
US-20230082430-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS CRBN, IKZF1, IKZF3 HTR3A 2232/4885HTR3E 3154/4885HTR3B 2912/4885
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS TRPM7, TRPM2, TRPM5 HTR3A 990/4885HTR3E 1524/4885HTR3B 725/4885
US-20240299348-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE TRPM5, TRPM6, TRPM2 HTR3A 1583/4885HTR3E 1392/4885HTR3B 1025/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 HTR3A 447/4885HTR3E 715/4885HTR3B 797/4885

“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.