SCHEMBL8317532

SCHEMBL8317532

O[C@@H]1CNCC[C@H]1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.50
SLC18A3 Q16572 3/20 0.50
MAOB P27338 3/20 0.50
MAOA P21397 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
FPR1 P21462 2/20 0.45
FPR2 P25090 2/20 0.45
CISD1 Q9NZ45 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL407883 1.00 KDM1A (0.50) KDM1ASLC18A3MAOBMAOASIGMAR1
SCHEMBL8870050 1.00 KDM1A (0.50) KDM1ASLC18A3MAOBMAOASIGMAR1
SCHEMBL8471748 1.00 KDM1A (0.50) KDM1ASLC18A3MAOBMAOASIGMAR1
SCHEMBL11565322 1.00 KDM1A (0.50) KDM1ASLC18A3MAOBMAOASIGMAR1
SCHEMBL11565325 1.00 KDM1A (0.50) KDM1ASLC18A3MAOBMAOASIGMAR1
Hydrochloric Acid SCHEMBL11555721 0.98 SLC18A3 (0.49) KDM1ASLC18A3MAOBMAOASIGMAR1
Hydrochloric Acid SCHEMBL11555730 0.98 SLC18A3 (0.49) KDM1ASLC18A3MAOBMAOASIGMAR1
Hydrochloric Acid SCHEMBL442396 0.98 SLC18A3 (0.49) KDM1ASLC18A3MAOBMAOASIGMAR1
Bicarbonate SCHEMBL7443967 0.95 MAPT (0.49) KDM1ASLC18A3MAOBMAOASIGMAR1
SCHEMBL5923778 0.85 SLC18A3 (0.54) KDM1ASLC18A3MAOBMAOASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630887-B1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LTD (GB) 1999-07-28 EP claimed
US-5654299-A TREATING RESPIRATORY SYSTEM DISORDER (I.E. ASTHMA) WITH NEUROKININ 2 RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-08-05 US claimed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
US-5654299-A TREATING RESPIRATORY SYSTEM DISORDER (I.E. ASTHMA) WITH NEUROKININ 2 RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-08-05 US disclosed
US-4132710-A DIURETICS, ANOREXICS, ANTIDEPRESSANTS, ANTICONVULSANTS, & ANTIHYPERTENSIVE AGENTS AYERST, MCKENNA AND HARRISON, LTD. (CA) 1979-01-02 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 (2 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 KDM1A 3628/4885SLC18A3 1341/4885MAOB 289/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 KDM1A 2147/4885SLC18A3 1289/4885MAOB 79/4885

“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.