SCHEMBL7024601

SCHEMBL7024601

CN1CCC(c2cccc3c2C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)CC3)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.54
DRD3 P35462 8/20 0.54
DRD2 P14416 7/20 0.54
SLC6A5 Q9Y345 5/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
DHODH Q02127 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL7027975 1.00 HTR2A (0.54) HTR2ADRD3DRD2SLC6A5MTNR1A
SCHEMBL6820338 0.85 KCNH2 (0.55) HTR2ADRD3DRD2SLC6A5MTNR1A
SCHEMBL7025761 0.85 KCNH2 (0.55) HTR2ADRD3DRD2SLC6A5MTNR1A
SCHEMBL6820334 0.85 KCNH2 (0.55) HTR2ADRD3DRD2SLC6A5MTNR1A
SCHEMBL7029768 0.83 HTR2A (0.56) HTR2ADRD3DRD2MTNR1AMTNR1B
SCHEMBL7024708 0.83 HTR2A (0.56) HTR2ADRD3DRD2MTNR1AMTNR1B
SCHEMBL7020281 0.82 KCNH2 (0.56) HTR2ADRD3SLC6A5MTNR1AMTNR1B
SCHEMBL7020283 0.82 KCNH2 (0.56) HTR2ADRD3SLC6A5MTNR1AMTNR1B
SCHEMBL4788895 0.77 KCNH2 (0.49) DRD2SLC6A5MTNR1AMTNR1BMEN1
SCHEMBL7031232 0.77 MEN1 (0.55) DRD2MTNR1AMTNR1BMEN1KMT2A

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
EP-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 EP claimed
US-6410530-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-06-25 US claimed
US-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists MERCK PATENT GMBH (DE) 2003-07-10 US disclosed
EP-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-6410530-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-06-25 US disclosed
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 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-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists HTR2A, HTR1A, HTR5A HTR2A 1/4885DRD3 168/4885DRD2 32/4885

“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.