SCHEMBL5532769

SCHEMBL5532769

CCCCCONCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
HPGD P15428 1/20 0.45
KCNH2 Q12809 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL27481442 0.94 SIGMAR1 (0.54) SIGMAR1MEN1KMT2AHPGDKCNH2
SCHEMBL28475113 0.92 SIGMAR1 (0.59) SIGMAR1MEN1KMT2AHPGDKCNH2
Hydrochloric Acid SCHEMBL10616388 0.89 SIGMAR1 (0.56) SIGMAR1MEN1KMT2AHPGDKCNH2
SCHEMBL2911080 0.86 SIGMAR1 (0.56) SIGMAR1MEN1KMT2AHPGDL3MBTL1
SCHEMBL22472264 0.81 EPHX2 (0.50) SIGMAR1MEN1KMT2APOLBHPGD
SCHEMBL28504289 0.81 EPHX2 (0.50) SIGMAR1MEN1KMT2APOLBHPGD
SCHEMBL8369238 0.81 EPHX2 (0.50) SIGMAR1MEN1KMT2APOLBHPGD
SCHEMBL8897396 0.79 SIGMAR1 (0.50) SIGMAR1MEN1KMT2AHPGDL3MBTL1
SCHEMBL10653567 0.79 SIGMAR1 (0.53) SIGMAR1L3MBTL1
SCHEMBL5501337 0.79 ALDH1A1 (0.47) SIGMAR1MEN1KMT2APOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7087765-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2006-08-08 US disclosed
US-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases MUELLER ALAN L 2006-06-29 US disclosed
CN-1153568-C Compounds active at a novel side on receptor-operated calcium channel useful for treatment of neurological disorders NPSҩ�����޹�˾ 2004-06-16 CN disclosed
US-6750244-B2 NERVOUS SYSTEM DISORDERS NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
EP-1425002-A1 ARYLOXYPROPYLAMINES AS CHEMOSENSITIZING AGENTS IN THE TREATMENT OF CANCER Ramot at Tel Aviv University Ltd. (IL) 2004-06-09 EP disclosed
WO-2003022258-A1 ARYLOXYPROPYLAMINES AS CHEMOSENSITIZING AGENT IN THE TREATMENT OF CANCER RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2003-03-20 WO disclosed
US-20020004522-A1 Nervous system disorders NPS PHARMACEUTICALS, INC. 2002-01-10 US disclosed
US-6211245-B1 DRUGS FOR CONTROLLING CALCIUM MODULATORS NPS PHARMACEUTICALS, INC. 2001-04-03 US disclosed
CN-1192679-A Compounds active at a novel side on receptor-operated calcium channel useful for treatment of neurological disorders N P S PHARMACEUTICALS INC (US) 1998-09-09 CN disclosed
EP-0831799-A1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS NPS PHARMACEUTICALS, INC. (US) 1998-04-01 EP disclosed
WO-1996040097-A1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS NPS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
EP-0399504-A2 Aryloxyphenylpropylamines their preparation and use NOVO NORDISK A/S (DK) 1990-11-28 EP disclosed
EP-0318727-A2 Aryloxphenylpropylamines and their preparation and use NOVO NORDISK A/S (DK) 1989-06-07 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 (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-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D SIGMAR1 1369/4885MEN1 4690/4885KMT2A 3335/4885
US-20020004522-A1 Nervous system disorders HIF1A, PYGB, LDHB SIGMAR1 3929/4885MEN1 3316/4885KMT2A 1100/4885

“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.