SCHEMBL4833499

SCHEMBL4833499

Cc1cc(NN(CCN2CC[C@H]3CCCC[C@H]3C2)C(=O)c2ccccc2)c2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.42
HTR6 P50406 1/20 0.42
NPC1 O15118 2/20 0.40
GUSB P08236 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 2/20 0.39
OPRK1 P41145 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
ADRA2A P08913 2/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
HTT P42858 3/20 0.38
GALR3 O60755 1/20 0.38

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
SCHEMBL4633676 0.77 NPC1 (0.53) NPC1GUSBMAPTRAB9ASMN1; SMN2
SCHEMBL14288557 0.77 NPC1 (0.53) NPC1GUSBMAPTRAB9ASMN1; SMN2
SCHEMBL4633673 0.77 NPC1 (0.53) NPC1GUSBMAPTRAB9ASMN1; SMN2
SCHEMBL4834703 0.77 NPC1 (0.53) NPC1GUSBMAPTRAB9ASMN1; SMN2
SCHEMBL4833508 0.75 NR4A2 (0.50) NPC1GUSBMAPTRAB9AADRA2A
SCHEMBL6196488 0.70 UTS2R (0.57) RAB9ASMN1; SMN2LMNAADRA2ADRD2
SCHEMBL6078927 0.68 UTS2R (0.48) RAB9ASMN1; SMN2ADRA2ADRD2HTR2A
SCHEMBL6079575 0.68 UTS2R (0.48) RAB9ASMN1; SMN2ADRA2ADRD2HTR2A
SCHEMBL6078919 0.68 UTS2R (0.48) RAB9ASMN1; SMN2ADRA2ADRD2HTR2A
SCHEMBL4861120 0.68 UTS2R (0.54) RAB9ASMN1; SMN2ADRA2ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 HTR7 240/4885HTR6 618/4885NPC1 1830/4885

“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.