SCHEMBL6958794

SCHEMBL6958794

CCCNC1CCc2[nH]c3ccc(C(=O)Nc4cn[nH]c4)cc3c2C1.CS(=O)(=O)O

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 4/20 0.48
DRD2 known ✓ P14416 2/20 0.48
HTR1B known ✓ P28222 3/20 0.47
HTR1D known ✓ P28221 1/20 0.47
DRD4 known ✓ P21917 1/20 0.45
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HTR1E P28566 1/20 0.45
HTR7 P34969 1/20 0.45
OPRM1 P35372 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HTR1F P30939 1/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL6958797 0.83 HTR1A (0.38) HTR1ADRD2ALDH1A1LMNAKMT2A
SCHEMBL9336316 0.81 HTR1A (0.58) HTR1ADRD2HTR1BHTR1DALDH1A1
SCHEMBL6958771 0.81 HTR1A (0.50) HTR1ADRD2HTR1BHTR1DALDH1A1
SCHEMBL6965193 0.79 HTR1A (0.56) HTR1ADRD2HTR1BHTR1DALDH1A1
Oxalic Acid SCHEMBL9334144 0.79 HTR1A (0.56) HTR1ADRD2HTR1BHTR1DALDH1A1
SCHEMBL7971643 0.78 HTR1A (0.43) HTR1ADRD2HTR1BHTR1DALDH1A1
SCHEMBL6960098 0.77 ALDH1A1 (0.51) HTR1ADRD2HTR1BHTR1DALDH1A1
Hydrochloric Acid SCHEMBL6953846 0.77 HTR1A (0.49) HTR1ADRD2HTR1BHTR1DALDH1A1
Sulfuric Acid SCHEMBL6962963 0.76 HTR1A (0.50) HTR1ADRD2HTR1BHTR1DALDH1A1
Oxalic Acid SCHEMBL9334138 0.76 HTR1A (0.55) HTR1ADRD2HTR1BHTR1DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ LP (CA) 2026-05-07 US disclosed
WO-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed
EP-0882726-B1 Carbazol-carboxamides as 5-HT1F agonists LILLY CO ELI (US) 2003-05-21 EP disclosed
US-6221884-B1 Carboxamides useful as 5-HT1F agonists ELI LILLY AND COMPANY 2001-04-24 US disclosed
WO-1998055115-A1 CARBOXAMIDES USEFUL AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-12-10 WO disclosed
EP-0882726-A1 Carbazol-carboxamides as 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-12-09 EP 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 (1 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-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS HTR1F, HTR1A, HTR1D HTR1A 2/4885DRD2 691/4885HTR1B 4/4885

“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.