SCHEMBL4537434

SCHEMBL4537434

C(=CN1CCNCC1)Cc1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ BCHE P06276 1/20 0.51
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CYP3A4 P08684 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ AHR P35869 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GPR84 Q9NQS5 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ HTR6 P50406 2/20 0.46
▸ MPO P05164 1/20 0.46

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
SCHEMBL948663 0.76 CYP2D6 (0.81) SLC6A4CYP2D6BCHELMNAHTT
SCHEMBL28435637 0.75 BCHE (0.53) SLC6A4CYP2D6BCHELMNAHTT
SCHEMBL11301230 0.74 DRD2 (0.43) CYP2D6BCHEHTR2AHTR1ADRD2
SCHEMBL762564 0.74 HTR2A (0.78) SLC6A4CYP2D6BCHELMNAHTT
SCHEMBL17243903 0.74 MEN1 (0.50) CYP2D6BCHELMNAHTTKDM4E
SCHEMBL17732258 0.73 MEN1 (0.58) SLC6A4CYP2D6BCHELMNAHTT
SCHEMBL6156912 0.73 MEN1 (0.58) SLC6A4CYP2D6BCHELMNAHTT
SCHEMBL6159296 0.73 HTR2A (0.61) SLC6A4CYP2D6HTTKDM4ECYP3A4
SCHEMBL8742359 0.73 HTR2A (0.61) SLC6A4CYP2D6HTTKDM4ECYP3A4
SCHEMBL6803427 0.73 MEN1 (0.58) SLC6A4CYP2D6BCHELMNAHTT

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-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 — — US disclosed
US-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 — — US disclosed
EP-0529452-B1 1,7-Condensed 3-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SOLVAY PHARM GMBH (DE) 1998-11-11 — — 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-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them LDLR, LRP6, PLPBP SLC6A4 4807/4885CYP2D6 4032/4885BCHE 4678/4885

“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.

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