SCHEMBL6538634

SCHEMBL6538634

N#Cc1ccc(N2CCC(C3CCNCC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
HRH3 Q9Y5N1 7/20 0.50
GPR119 Q8TDV5 1/20 0.48
CHRNA10 Q9GZZ6 1/20 0.45
CHRNA9 Q9UGM1 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
KCNH2 Q12809 1/20 0.43
PARP1 P09874 1/20 0.41
MAPKAPK2 P49137 3/20 0.41
ADRB1 P08588 1/20 0.41

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
SCHEMBL231077 0.82 KDM4E (0.63) KDM4ETP53CHRNA10CHRNA9DRD2
SCHEMBL6956744 0.82 KDM4E (0.63) KDM4ETP53CHRNA10CHRNA9DRD2
Hydrochloric Acid SCHEMBL5208875 0.81 KDM4E (0.47) KDM4ETP53HRH3GPR119CHRNA10
Hydrochloric Acid SCHEMBL23303443 0.80 KDM4E (0.61) KDM4ETP53CHRNA10CHRNA9DRD2
Hydrochloric Acid SCHEMBL376202 0.80 KDM4E (0.61) KDM4ETP53CHRNA10CHRNA9DRD2
SCHEMBL4434108 0.79 LTA4H (0.56) KDM4EGPR119ADRB1
SCHEMBL29471969 0.79 PIM1 (0.43) KDM4EHRH3ADRB1
SCHEMBL20346556 0.79 KDM4E (0.65) KDM4ETP53HRH3GPR119CHRNA10
SCHEMBL10316004 0.79 SIGMAR1 (0.64) GPR119ADRB1
SCHEMBL3487510 0.78 KDM4E (0.47) KDM4ETP53HRH3GPR119PARP1

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-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 WO disclosed
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed
EP-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 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 (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-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA KDM4E 4695/4885TP53 3997/4885HRH3 2167/4885

“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.