SCHEMBL4287551

SCHEMBL4287551

COc1ccc(C[C@@H]2CN(Cc3ccccc3)CCN2)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.63
SIGMAR1 Q99720 3/20 0.59
HRH2 P25021 1/20 0.55
DRD4 P21917 2/20 0.52
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL12520647 1.00 LTA4H (0.63) LTA4HSIGMAR1HRH2DRD4DRD2
SCHEMBL3491795 0.88 LTA4H (0.61) LTA4HSIGMAR1
SCHEMBL24350 0.88 LTA4H (0.61) LTA4HSIGMAR1
SCHEMBL18325 0.88 LTA4H (0.61) LTA4HSIGMAR1
SCHEMBL3492316 0.86 LTA4H (0.62) LTA4HSIGMAR1HRH2DRD4MEN1
SCHEMBL6721328 0.86 LTA4H (0.65) LTA4HSIGMAR1HRH2DRD4DRD2
SCHEMBL4975345 0.85 LTA4H (0.57) LTA4HSIGMAR1SMN1; SMN2
SCHEMBL5361052 0.84 LTA4H (0.58) LTA4HSIGMAR1DRD4DRD2DRD3
SCHEMBL4290430 0.84 LTA4H (0.58) LTA4HSIGMAR1DRD4DRD2
SCHEMBL6099454 0.84 LTA4H (0.58) LTA4HSIGMAR1DRD4DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
US-20070123532-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2007-05-31 US disclosed
US-7166598-B2 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases such as asthma, emesis, an anxiety disorder, pollakiuria, urinary incontinence and irritable bowel syndrome ASTELLAS PHARMA INC. (JP) 2007-01-23 US disclosed
EP-1140924-B1 PIPERAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2006-03-22 EP disclosed
US-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-01-19 US disclosed
EP-0873320-B1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-12 EP disclosed
US-20020010182-A1 Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-24 US disclosed
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
US-6087357-A Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-11 US disclosed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 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 (5 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-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals PKD2, TAC3, PKD1 LTA4H 944/4885SIGMAR1 803/4885HRH2 300/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885SIGMAR1 3163/4885HRH2 889/4885
US-20020010182-A1 Piperazine derivatives as tachykinin antagonists PKD2, SSTR5, TAC3 LTA4H 754/4885SIGMAR1 959/4885HRH2 294/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 LTA4H 677/4885SIGMAR1 1431/4885HRH2 208/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885SIGMAR1 3163/4885HRH2 889/4885

“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.