SCHEMBL4094720

SCHEMBL4094720

Fc1ccc(N2[CH]CNCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.39
HTR1A P08908 4/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
HTR2B P41595 2/20 0.37
HTR6 P50406 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 1/20 0.36
BPTF Q12830 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL6645954 0.81 ADRB1 (0.55) HTR7HTR1AHTR2BHTR6ALDH1A1
SCHEMBL3483001 0.81 ADRB1 (0.55) HTR7HTR1ATP53HTR2BHTR6
SCHEMBL6094315 0.81 QDPR (0.39) KDM4EALDH1A1MAPTSIGMAR1HTR3A
SCHEMBL739058 0.80 SIGMAR1 (0.52) HTR7HTR1ATP53HTR2BHTR6
SCHEMBL3537094 0.78 PLD1 (0.57) ALDH1A1SLC6A4
SCHEMBL6956749 0.78 KDM4E (0.43) KDM4ETP53POLB
SCHEMBL2410875 0.77 ADRB1 (0.59) HTR7HTR1AHTR2BHTR6POLB
SCHEMBL3482920 0.75 HTR2C (0.38) HTR7HTR1AKDM4EHTR2BALDH1A1
SCHEMBL22159394 0.74 BPTF (0.38) HTR7HTR1AHTR2BHTR6BPTF
SCHEMBL6094131 0.74 ALDH1A1 (0.47) ALDH1A1MAPTGFERMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608619-B2 Substituted oxazole compounds with analgesic activity GRUENENTHAL GMBH (DE) 2009-10-27 US disclosed
US-20090069330-A1 Substituted Oxazole Compounds with Analgesic Activity GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
US-20020128231-A1 Aryl-indane compounds EASTMAN CHEMICAL COMPANY 2002-09-12 US disclosed
WO-2002030915-A2 ARYL-INDANE COMPOUNDS FOR USE AS INHIBITORS OF P-GLYCOPROTEIN MEDIATED TRANSPORT AVLAN LIMITED (GB) 2002-04-18 WO disclosed
US-4338453-A Aminoalkyl-1,2,4-triazoles THE UPJOHN COMPANY (US) 1982-07-06 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 (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-20090069330-A1 Substituted Oxazole Compounds with Analgesic Activity OPRK1, OPRD1, OPRM1 HTR7 195/4885HTR1A 278/4885KDM4E 2740/4885
US-20020128231-A1 Aryl-indane compounds ABCB1, ABCC1, ABCG2 HTR7 2496/4885HTR1A 3276/4885KDM4E 3633/4885

“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.