SCHEMBL7334545

SCHEMBL7334545

CCNCc1nccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
HTR1B P28222 2/20 0.44
PLAU P00749 2/20 0.43
F12 P00748 1/20 0.43
NCF1 P14598 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
CCR4 P51679 1/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL30482129 1.00 CYP2A6 (0.47) CYP2A6HTR1BPLAUF12NCF1
SCHEMBL2311388 0.89 PLAU (0.48) CYP2A6PLAUF12NCF1NOS3
SCHEMBL25376432 0.89 S100A4 (0.39) CYP2A6HTR1BPLAUF12NCF1
SCHEMBL17264864 0.82 CYP2A6 (0.50) CYP2A6HTR1BPLAUF12NCF1
SCHEMBL30179063 0.80 CYP2A6 (0.52) CYP2A6PLAUF12NCF1NOS3
SCHEMBL4066216 0.80 CYP2A6 (0.52) CYP2A6PLAUF12NCF1NOS3
SCHEMBL30327401 0.80 CYP2A6 (0.55) CYP2A6PLAUF12NCF1NOS3
SCHEMBL873259 0.80 CYP2A6 (0.55) CYP2A6PLAUF12NCF1NOS3
SCHEMBL13959292 0.79 CYP2A6 (0.47) CYP2A6PLAUF12NCF1NOS3
Bromide SCHEMBL5146590 0.78 CYP2A6 (0.53) CYP2A6PLAUF12NCF1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136594-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2025-05-01 US disclosed
EP-4469438-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
EP-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 EP disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 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 (2 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-20250136594-A1 COMPOUNDS AND METHODS OF USE CNKSR1, UGT1A1, REV1 CYP2A6 30/4885HTR1B 565/4885PLAU 1753/4885
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP CYP2A6 4152/4885HTR1B 4020/4885PLAU 1014/4885

“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.