SCHEMBL4895480

SCHEMBL4895480

O=C(c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)N1CCCCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.58
AVPR1A P37288 8/20 0.58
OXTR P30559 5/20 0.55
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.52
SLC22A12 Q96S37 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL4895457 0.97 LMNA (0.56) AVPR2AVPR1ALMNATSHRALDH1A1
SCHEMBL4902129 0.82 POLB (0.48) LMNASLC22A12ALDH1A1HPGD
SCHEMBL4895551 0.81 BRD4 (0.52) LMNASLC22A12ALDH1A1HPGD
SCHEMBL4901495 0.81 POLB (0.50) AVPR2TSHRALDH1A1
SCHEMBL4899486 0.81 GPBAR1 (0.48) LMNASLC22A12HPGD
SCHEMBL4895521 0.81 AVPR2 (0.70) AVPR2AVPR1AOXTRTSHRSLC22A12
SCHEMBL4898058 0.80 AVPR1A (0.44) AVPR2AVPR1ASLC22A12ALDH1A1
SCHEMBL4898923 0.79 DRD4 (0.49) LMNASLC22A12ALDH1A1
SCHEMBL12753240 0.79 POLB (0.56) AVPR2AVPR1ALMNATSHRALDH1A1
SCHEMBL4900137 0.79 GAA (0.47) LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 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 (3 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-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds NOD1, NLRP3, SLC10A1 AVPR2 2370/4885AVPR1A 3879/4885OXTR 3337/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 AVPR2 4216/4885AVPR1A 4230/4885OXTR 2938/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 AVPR2 2871/4885AVPR1A 4032/4885OXTR 3962/4885

“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.