SCHEMBL5833683

SCHEMBL5833683

[CH](CCCc1cccnc1)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HRH1 P35367 2/20 0.51
TBXAS1 P24557 7/20 0.51
CHRNA7 P36544 1/20 0.49
GPR52 Q9Y2T5 1/20 0.48
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
PTAFR P25105 1/20 0.45

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
SCHEMBL6159710 1.00 CYP2A6 (0.54) CYP2A6TDP1L3MBTL1HRH1TBXAS1
SCHEMBL7940513 0.97 CYP2A6 (0.58) CYP2A6TDP1L3MBTL1HRH1TBXAS1
SCHEMBL15848131 0.91 CYP2A6 (0.63) CYP2A6TDP1L3MBTL1HRH1TBXAS1
SCHEMBL8199794 0.84 TDP1 (0.71) CYP2A6TDP1L3MBTL1HRH1TBXAS1
SCHEMBL8200325 0.84 CYP2A6 (0.68) CYP2A6TDP1L3MBTL1HRH1TBXAS1
SCHEMBL364434 0.84 SIGMAR1 (0.48) L3MBTL1
SCHEMBL27486131 0.83 CYP2A6 (0.58) CYP2A6TDP1L3MBTL1HRH1TBXAS1
SCHEMBL13098626 0.82 HRH1 (0.72) CYP2A6TDP1L3MBTL1HRH1TBXAS1
SCHEMBL12040598 0.82 HRH1 (0.72) CYP2A6TDP1L3MBTL1HRH1TBXAS1
SCHEMBL3157976 0.81 CYP2A6 (0.49) CYP2A6TDP1L3MBTL1HRH1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056935-B2 Rotamase enzyme activity inhibitors GPI NIL HOLDINGS, INC. (US) 2006-06-06 US disclosed
US-20020052410-A1 Administering to the animal suffering from neurological disorders an amide compound having an affinity for FKBP-type immunophilins GLIAMED, INC. 2002-05-02 US disclosed
US-6124328-A TREATING NERVE CELLS WITH A NEUROTROPHIC AGENT; PROMOTING REPAIR OF NEURONAL DAMAGE CAUSED BY DISEASE OR PHYSICAL TRAUMA VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-09-26 US disclosed
US-6037370-A TREATING ALZHEIMER*S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, PARKINSON*S DISEASE, AND OTHER NERVOUS SYSTEM DISORDERS WITH PEPTIDE DERIVATIVES VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-03-14 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 (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-20020052410-A1 Administering to the animal suffering from neurological disorders an amide compound having an affinity for FKBP-type immunophilins FKBP14, FKBP1A, FKBP2 CYP2A6 4204/4885TDP1 1477/4885L3MBTL1 1297/4885

“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.