SCHEMBL6174262

SCHEMBL6174262

O=c1[nH]ncn1-c1ccc(N2CCN(c3ccccc3Cl)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ADRB1 P08588 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PLA2G1B P04054 1/20 0.42
RAB9A P51151 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
AKR1C3 P42330 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL6174267 0.84 GPR119 (0.48) ALDH1A1ADRB1GPR119HTTLMNA
SCHEMBL5906035 0.80 HCAR1 (0.50) ALDH1A1ADRB1HTTKDM4ERAB9A
SCHEMBL6175083 0.80 ALDH1A1 (0.44) ALDH1A1HTTLMNAKDM4EMAPT
SCHEMBL7887520 0.80 DRD4 (0.60) ALDH1A1KDM4EMAPTSIGMAR1
SCHEMBL14884466 0.78 GPR119 (0.48) ADRB1GPR119HTTLMNAAKR1C3
SCHEMBL20639686 0.78 GPR119 (0.48) GPR119HTTAKR1C3ADRA1DADRA1A
SCHEMBL3034991 0.74 GPR119 (0.45) ALDH1A1GPR119HTTLMNAAKR1C3
SCHEMBL3117217 0.74 MAPT (0.52) ALDH1A1ADRB1LMNARAB9AAKR1C3
SCHEMBL8718822 0.73 HTT (0.50) ALDH1A1GPR119HTTKDM4ERAB9A
SCHEMBL19212308 0.73 ADRB1 (0.59) ALDH1A1ADRB1HTTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261330-A1 Derivatives of 2,2,4-trisubstituted tetrahydrofuran an antifungal agents RANBAXY LABORATORIES LIMITED (IN) 2005-11-24 US disclosed
EP-1497298-A1 DERIVATIVES OF 2,2,4-TRISUBSTITUTED TETRAHYDROFURAN AS ANTIFUNGAL AGENTS RANBAXY LABORATORIES, LTD. (IN) 2005-01-19 EP disclosed
WO-2003087106-A1 DERIVATIVES OF 2,2,4-TRISUBSTITUTED TETRAHYDROFURAN AS ANTIFUNGAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2003-10-23 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-20050261330-A1 Derivatives of 2,2,4-trisubstituted tetrahydrofuran an antifungal agents ERG28, DPM1, CYP51A1 ALDH1A1 1062/4885ADRB1 4487/4885GPR119 1617/4885

“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.