SCHEMBL7042985

SCHEMBL7042985

c1ccc(COc2ccc(NC3CCNCC3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.62
MAOA P21397 2/20 0.62
KDM1A O60341 1/20 0.62
PRMT5 O14744 2/20 0.56
LTA4H P09960 1/20 0.50
SLC6A2 P23975 2/20 0.49
SLC6A3 Q01959 2/20 0.49
HTR1A P08908 1/20 0.49
SLC6A4 P31645 1/20 0.49
CACNA1B Q00975 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 2/20 0.47
AR P10275 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BCHE P06276 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
SCHEMBL12614692 0.90 LTA4H (0.55) MAOBMAOAKDM1ALTA4HSLC6A2
Hydrochloric Acid SCHEMBL27903791 0.88 LTA4H (0.54) MAOBMAOAKDM1ALTA4HSLC6A2
SCHEMBL10398571 0.79 CYP1A2 (0.50) MAOBMAOALTA4HSLC6A2SLC6A3
Hydrochloric Acid SCHEMBL4651252 0.79 LTA4H (0.47) KDM1ALTA4HSLC6A2SLC6A3HTR1A
SCHEMBL7728629 0.78 HRH1 (0.72) MAOBMAOAKDM1APRMT5SLC6A2
SCHEMBL20930997 0.78 MAOB (0.62) MAOBMAOAKDM1APRMT5SLC6A2
SCHEMBL918020 0.78 HTR6 (0.49) MAOBMAOAKDM1ASLC6A2HTR1A
SCHEMBL21460220 0.78 F10 (0.54) MAOBMAOAKDM1APRMT5SLC6A2
SCHEMBL18304442 0.78 SLC6A5 (0.60) MAOBMAOAKDM1ARAB9ANPC1
SCHEMBL23724311 0.78 CACNA1B (0.62) LTA4HCACNA1BRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030060632-A1 Calcium channel blockers HU LAIN-YEN (US) 2003-03-27 US disclosed
US-6495715-B2 STROKE, ANTIISCHEMIC AGENTS, TRAUMAS, ANTIEPILEPIC AGENTS WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
US-20010023249-A1 Calcium channel blockers HU LAIN-YEN (US) 2001-09-20 US disclosed
US-6251918-B1 FOR THERAPY OF STROKE, CEREBRAL ISCHEMIA, HEAD TRAUMA, OR EPILEPSY WARNER-LAMBERT COMPANY 2001-06-26 US disclosed
WO-1999007689-A1 ANILINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-02-18 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 (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-20010023249-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G MAOB 613/4885MAOA 1689/4885KDM1A 2032/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G MAOB 613/4885MAOA 1689/4885KDM1A 2032/4885

“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.