SCHEMBL7958587

SCHEMBL7958587

Brc1ccc(CN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
DRD4 P21917 4/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LSS P48449 1/20 0.51
ACHE P22303 1/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
MAPT P10636 2/20 0.49
PRKCI P41743 1/20 0.47
CHKA P35790 1/20 0.47
CASP1 P29466 1/20 0.47
CASP4 P49662 1/20 0.47
CASP5 P51878 1/20 0.47
CXCR3 P49682 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
SCHEMBL8251460 0.84 POLB (0.56) POLBDRD4KDM4ELSSDRD2
SCHEMBL9516128 0.84 POLB (0.56) POLBDRD4KDM4EALDH1A1LSS
SCHEMBL12261943 0.83 DRD4 (0.77) POLBDRD4DRD2DRD3
SCHEMBL25366104 0.82 DRD4 (0.54) DRD4KDM4EALDH1A1DRD2DRD3
SCHEMBL14587782 0.82 DRD4 (0.53) POLBDRD4KDM4EACHEDRD2
SCHEMBL6184188 0.81 LSS (0.65) KDM4EALDH1A1LSSMAPT
SCHEMBL11552519 0.81 MAPT (0.56) DRD4KDM4EALDH1A1MAPTCHKA
SCHEMBL1244075 0.80 ALDH1A1 (0.73) POLBKDM4EALDH1A1MAPT
SCHEMBL7958273 0.80 HRH1 (0.58) POLBDRD4KDM4ELSS
SCHEMBL16944454 0.80 SIGMAR1 (0.60) POLBDRD4KDM4EALDH1A1LSS

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-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
EP-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 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 (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-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 POLB 2043/4885DRD4 4723/4885KDM4E 4576/4885

“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.