SCHEMBL432590

SCHEMBL432590

Cc1ccc2c(N3CCN[C@H](C)C3)cc(F)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 11/20 0.48
▸ HTR1D P28221 10/20 0.48
▸ SLC6A4 P31645 9/20 0.48
▸ HTR1B P28222 9/20 0.48
▸ KCNH2 Q12809 8/20 0.48
▸ USP28 Q96RU2 2/20 0.43
▸ USP25 Q9UHP3 1/20 0.43
▸ NCF1 P14598 2/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ CTNNB1 P35222 2/20 0.41
▸ TCF7L2 Q9NQB0 2/20 0.41
▸ ACVR1 Q04771 1/20 0.41
▸ KHK P50053 1/20 0.40
▸ HTR2C P28335 1/20 0.39

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
SCHEMBL3143283 1.00 HTR1A (0.48) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL14230828 1.00 HTR1A (0.48) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL431110 0.83 NCF1 (0.60) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL429083 0.81 CYP2C9 (0.50) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL2881010 0.81 CYP2C9 (0.50) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL4180251 0.81 CYP2C9 (0.50) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL14230521 0.77 LATS1 (0.50) HTR1AHTR1DSLC6A4HTR1BKCNH2
Hydrochloric Acid SCHEMBL30888868 0.77 ALDH1A1 (0.45) KCNH2USP28USP25CTNNB1TCF7L2
SCHEMBL6552879 0.73 HTR1A (0.42) HTR1AHTR1DSLC6A4HTR1BNCF1
SCHEMBL6552882 0.73 HTR1A (0.42) HTR1AHTR1DSLC6A4HTR1BNCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 — — US disclosed
EP-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 — — EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 — — 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 (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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE HTR1A 7/4885HTR1D 11/4885SLC6A4 376/4885

“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.

Send feedback