SCHEMBL4243442

SCHEMBL4243442

N#Cc1cccc(CC2CCNCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.59
▸ SLC6A2 P23975 8/20 0.53
▸ SLC6A4 P31645 8/20 0.53
▸ SLC6A3 Q01959 5/20 0.53
▸ HTR6 P50406 1/20 0.50
▸ MGLL Q99685 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ DRD2 P14416 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ CCR3 P51677 1/20 0.43

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
Hydrochloric Acid SCHEMBL18280130 0.98 GBA1 (0.57) GBA1SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL21408968 0.91 SLC6A4 (0.50) GBA1SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL29889730 0.91 SLC6A4 (0.50) GBA1SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL28254019 0.87 KMT2A (0.50) SLC6A2SLC6A4SLC6A3MGLLDRD2
SCHEMBL12807560 0.84 SLC6A2 (0.51) GBA1SLC6A2SLC6A4SLC6A3HTR6
Hydrochloric Acid SCHEMBL1532823 0.83 SLC6A2 (0.50) GBA1SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL26703855 0.81 MGLL (0.47) MGLLCCR3
SCHEMBL28128625 0.81 SLC6A4 (0.63) GBA1SLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL6927185 0.81 MGLL (0.50) GBA1SLC6A2SLC6A4SLC6A3HTR6
Hydrochloric Acid SCHEMBL18280151 0.80 SLC6A4 (0.62) GBA1SLC6A2SLC6A4SLC6A3HTR3A

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-20090170901-A1 Benzoyl Urea Derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2009-07-02 — — US disclosed
EP-1771429-A1 NEW BENZOYL UREA DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2007-04-11 — — EP disclosed
WO-2006010966-A1 NEW BENZOYL UREA DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-02-02 — — 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-20090170901-A1 Benzoyl Urea Derivatives OPRM1, GRIN2C, GRIN3A GBA1 3315/4885SLC6A2 2087/4885SLC6A4 985/4885

“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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