SCHEMBL4531335

SCHEMBL4531335

O=C(c1[nH]c2ccccc2c1CN1CCC(c2c(Cl)cccc2Cl)CC1)N1CCN(C(=O)C2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP7 P55210 1/20 0.41
CNR1 P21554 1/20 0.41
HTR2A P28223 1/20 0.40
ADRB2 P07550 1/20 0.40
MCL1 Q07820 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PARP1 P09874 1/20 0.40
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
RORC P51449 1/20 0.39
DHODH Q02127 1/20 0.39

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
Hydrochloric Acid SCHEMBL4518426 0.93 MEN1 (0.47) KMT2AMEN1TSHRMAPTHPGD
SCHEMBL4529569 0.92 HTR2A (0.43) KMT2AMEN1TSHRMAPTHPGD
SCHEMBL4504655 0.90 MCL1 (0.45) KMT2AMEN1MAPTHTR2AMCL1
Hydrochloric Acid SCHEMBL4522961 0.89 CNR1 (0.45) KMT2AMEN1MAPTCNR1HTR2A
SCHEMBL4515176 0.88 LMNA (0.46) KMT2AMEN1TSHRUSP2MAPT
SCHEMBL4520883 0.88 HRH4 (0.49) KMT2AMEN1MAPTHPGDHTR2A
SCHEMBL4528376 0.88 MCL1 (0.42) KMT2AMEN1MAPTCNR1HTR2A
Hydrochloric Acid SCHEMBL4525039 0.87 HTR2A (0.51) KMT2AMEN1TSHRMAPTHTR2A
SCHEMBL4528863 0.86 HTR2A (0.41) KMT2AMEN1MAPTHPGDHTR2A
Hydrochloric Acid SCHEMBL4522613 0.86 HTR2A (0.42) KMT2AMEN1MAPTHPGDHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US claimed
EP-1841755-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2007-10-10 EP claimed
WO-2006070001-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2006-07-06 WO claimed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
EP-1841755-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2007-10-10 EP disclosed
WO-2006070001-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2006-07-06 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-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 KMT2A 3625/4885MEN1 2146/4885TSHR 248/4885

“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.