SCHEMBL6000893

SCHEMBL6000893

COc1ccc(C(CCN)c2cccc(F)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 4/20 0.53
LMNA P02545 4/20 0.53
HTT P42858 4/20 0.53
MITF O75030 2/20 0.53
MAPT P10636 1/20 0.53
HRH1 P35367 1/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
GPR35 Q9HC97 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
XBP1 P17861 1/20 0.46
SLC7A5 Q01650 1/20 0.44
RELA Q04206 1/20 0.43
NFE2L2 Q16236 1/20 0.43

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
SCHEMBL6001309 0.90 MTNR1A (0.48) KMT2AMEN1HRH1NFE2L2L3MBTL1
SCHEMBL4435726 0.85 KMT2A (0.61) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL10973267 0.85 HRH1 (0.67) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL5999535 0.85 HRH1 (0.67) HRH1CNR2SLC7A5
SCHEMBL5947784 0.84 HRH1 (0.59) HRH1CNR2SLC7A5AOC3
SCHEMBL14415662 0.84 PDE4A (0.46) KMT2AMEN1LMNAHRH1SLC7A5
SCHEMBL5999516 0.84 HRH1 (0.52) HRH1CNR1CNR2SLC7A5NFE2L2
SCHEMBL5947827 0.83 KMT2A (0.65) KMT2AMEN1ALDH1A1LMNAHTT
Ammonia Solution, Strong SCHEMBL6000897 0.82 CYP17A1 (0.50) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL7857706 0.80 HRH1 (0.60) KMT2AMEN1ALDH1A1LMNAHTT

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 7 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-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-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
US-6750244-B2 NERVOUS SYSTEM DISORDERS NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6211245-B1 DRUGS FOR CONTROLLING CALCIUM MODULATORS NPS PHARMACEUTICALS, INC. 2001-04-03 US disclosed
US-6051610-A COMPOUNDS USEFUL AS NEUROPROTECTANTS, ANTICONVULSANTS, ANXIOLYTICS, ANALGESICS, MUSCLE RELAXANTS OR ADJUVANTS TO GENERAL ANESTHETICS NPS PHARMACEUTICALS, INC. (US) 2000-04-18 US disclosed
US-6017965-A TREATING STROKE, HEAD TRAUMA, SPINAL CORD INJURY, SPINAL CORD ISCHEMIA, ISCHEMIA- OR HYPOXIA-INDUCED NERVE CELL DAMAGE, EPILEPSY, ANXIETY, NEUROPSYCHIATRIC OR COGNITIVE DEFICITS DUE TO ISCHEMIA OR HYPOXIA NPS PHARMACEUTICALS, INC. (US) 2000-01-25 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-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D KMT2A 3335/4885MEN1 4690/4885ALDH1A1 2261/4885

“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.