SCHEMBL5260988

SCHEMBL5260988

COc1ccc2[nH]cc(C(c3ccccc3)N(C)C)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.74
HTR2B P41595 3/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
NR3C1 P04150 1/20 0.53
PGR P06401 1/20 0.53
NR3C2 P08235 1/20 0.53
AR P10275 1/20 0.53
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
HTR6 P50406 2/20 0.48
GPR84 Q9NQS5 2/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
CYP1A2 P05177 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR1A P08908 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL5260125 0.84 HTR1D (0.58) SRCHTR1AHTR1DHTR1BSLC6A4
SCHEMBL28579015 0.83 NR3C1 (0.70) SRCHTR2BHTR2AHTR2CNR3C1
SCHEMBL31070383 0.83 NR3C1 (0.70) SRCHTR2BHTR2AHTR2CNR3C1
SCHEMBL5261131 0.81 SRC (0.56) SRCHTR2AHTR2CGPR84NOD2
SCHEMBL5259681 0.81 SRC (0.58) SRCHTR2ALMNAGAAHTT
SCHEMBL5261587 0.80 SRC (0.75) SRCHTR2BHTR2AHTR2CNR3C1
SCHEMBL4796985 0.79 HTR2B (0.63) SRCHTR2BHTR2AHTR2CHTR6
SCHEMBL28466091 0.76 SRC (0.54) SRCHTR2BHTR2AHTR2CNR3C1
SCHEMBL12180277 0.75 HTR2B (0.70) SRCHTR2BHTR2AHTR2CHTR6
SCHEMBL2072655 0.75 SLC6A4 (0.69) SRCHTR2BHTR2AHTR2CNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP claimed
US-7091220-B2 Substituted indole Mannich bases GRUENENTHAL GMBH (DE) 2006-08-15 US claimed
EP-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP disclosed
EP-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP disclosed
US-7091220-B2 Substituted indole Mannich bases GRUENENTHAL GMBH (DE) 2006-08-15 US disclosed
US-20030060497-A1 Subtituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-03-27 US disclosed
EP-1261585-A1 SUBSTITUTED INDOLE MANNICH BASES Grünenthal GmbH (DE) 2002-12-04 EP disclosed
WO-2001047885-A1 SUBSTITUTED INDOLE MANNICH BASES Grünenthal GmbH (DE) 2001-07-05 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-20030060497-A1 Subtituted indole mannich bases TPH1, IDO1, TPH2 SRC 1551/4885HTR2B 306/4885HTR2A 77/4885

“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.