SCHEMBL5832785

SCHEMBL5832785

CN1C2CCCC1CN(c1ccc(S(=O)(=O)c3ccccn3)nc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
GPR119 Q8TDV5 2/20 0.37
RORC P51449 2/20 0.37
KDM2B Q8NHM5 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
AKR1C3 P42330 1/20 0.35
SMYD3 Q9H7B4 3/20 0.34
GRM1 Q13255 1/20 0.33

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
SCHEMBL5832281 0.96 HTR6 (0.40) HTR6HTR2AHTR2BGPR119RORC
SCHEMBL5832826 0.89 AGTR1 (0.41) HTR6RORCKDM4EAKR1C3
SCHEMBL5832971 0.85 POLB (0.39) KDM2BKDM4E
SCHEMBL5832868 0.84 AGTR1 (0.43) HTR6RORCKDM4EPKMAKR1C3
SCHEMBL5832745 0.80 KDM4E (0.39) HTR6GPR119KDM4E
SCHEMBL5832219 0.80 ALDH1A1 (0.39) KDM4EGRM1
SCHEMBL5833319 0.78 HRH3 (0.42)
SCHEMBL5832899 0.78 CDK4 (0.42)
SCHEMBL5832239 0.77 CHRNA7 (0.57)
SCHEMBL5832425 0.75 KDM4E (0.40) GPR119KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2003-09-18 US claimed
EP-1301514-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-04-16 EP claimed
WO-2002002564-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-10 WO claimed
US-7060699-B2 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2006-06-13 US disclosed
EP-1301514-B1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2005-01-26 EP disclosed
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2003-09-18 US disclosed
EP-1301514-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-04-16 EP disclosed
WO-2002002564-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-10 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-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use CHRNA7, CHRNA5, CHRNA2 HTR6 87/4885HTR2A 81/4885HTR2B 71/4885

“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.