SCHEMBL5871634

SCHEMBL5871634

Brc1ccc2ccn(C3CCNCC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.40
HTR6 P50406 2/20 0.38
KDM4C Q9H3R0 1/20 0.36
BRD4 O60885 2/20 0.35
SLC6A4 P31645 2/20 0.35
DRD2 P14416 1/20 0.35
CDC7 O00311 1/20 0.35
CDK2 P24941 1/20 0.35
MAP3K14 Q99558 1/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR1F P30939 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL28674631 0.89 HTR7 (0.47) HTR7HTR6SLC6A4DRD2CDC7
SCHEMBL26676818 0.85 HTR7 (0.47) HTR7HTR6SLC6A4DRD2CDC7
SCHEMBL31324662 0.84 HTR7 (0.51) HTR7HTR6SLC6A4DRD2CDC7
Methane SCHEMBL28163314 0.83 HTR7 (0.50) HTR7HTR6SLC6A4DRD2CDC7
SCHEMBL5871970 0.81 SCD (0.46) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL12459068 0.81 KDM4C (0.39) HTR6KDM4CSLC6A4DRD2HTR1A
SCHEMBL6739735 0.81 HTR7 (0.40) HTR7HTR6SLC6A4DRD2CDC7
SCHEMBL6743242 0.81 HTR7 (0.40) HTR7HTR6KDM4CSLC6A4DRD2
SCHEMBL4717916 0.81 SCD (0.45) HTR7HTR6KDM4C
SCHEMBL6742084 0.80 HTR1A (0.51) HTR7HTR6SLC6A4DRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 CN disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-20040167158-A1 Heterocyclic compounds for the treatment of migraine NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-08-26 US disclosed
US-6716837-B1 INDOLE AND INDAZOLE COMPOUNDS NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-04-06 US disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
EP-1196380-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS Allelix Corp. (CA) 2002-04-17 EP disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
WO-2001005758-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS ALLELIX CORP. (CA) 2001-01-25 WO disclosed
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP 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 (3 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-20020019531-A1 Indoles INMT, MUSK, MB HTR7 71/4885HTR6 313/4885KDM4C 1220/4885
US-20040167158-A1 Heterocyclic compounds for the treatment of migraine SCN7A, CNR2, HTR7 HTR7 3/4885HTR6 237/4885KDM4C 2601/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR7 57/4885HTR6 424/4885KDM4C 981/4885

“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.