SCHEMBL7130580

SCHEMBL7130580

c1ccc(COc2ccc3c(c2)c2c(n3Cc3ccccc3)CCNC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MCHR1 Q99705 7/20 0.48
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPKAPK2 P49137 1/20 0.44
HTR6 P50406 1/20 0.43
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43

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
SCHEMBL4892790 0.88 HDAC1 (0.50) CYP3A4HDAC1HDAC6PTGS1PTGS2
SCHEMBL6652167 0.83 MCHR1 (0.48) CYP3A4HDAC1HDAC6MCHR1MAPKAPK2
Hydrochloric Acid SCHEMBL7131399 0.83 HDAC1 (0.54) HDAC1HDAC6PTGS1PTGS2
SCHEMBL8035118 0.81 CYP3A4 (0.58) CYP3A4HDAC1HDAC6HTR6
SCHEMBL8025072 0.81 HDAC1 (0.69) HDAC1HDAC6HTR6
SCHEMBL6650620 0.79 HDAC1 (0.46) CYP3A4HDAC1HDAC6MCHR1HTR6
SCHEMBL13141908 0.79 HDAC1 (0.64) HDAC1HDAC6PTGS1PTGS2
SCHEMBL13142351 0.77 HTR6 (0.69) CYP3A4PTGS1PTGS2HTR6
SCHEMBL28074607 0.77 EGFR (0.50) HDAC6PTGS1MAPKAPK2EDNRBEDNRA
SCHEMBL4127644 0.75 HDAC1 (0.56) HDAC1HDAC6PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015451-B1 TETRAHYDRO GAMMA-CARBOLINES JANSSEN PHARMACEUTICA NV (BE) 2003-06-18 EP disclosed
US-6506768-B2 Serotonergic modulators; for treatment of disorders of the central nervous system including psychotic disorders, hypertension and vascular disorders, migraine JANSSEN PHARMACEUTICA N.V. (BE) 2003-01-14 US disclosed
US-20020103209-A1 Tetrahydro gamma-carbolines KENNIS LUDO EDMOND JOSEPHINE (BE) 2002-08-01 US disclosed
US-6303614-B1 FOR THERAPY PSYCHOTIC DISORDER SELECTED FROM DEPRESSION, ANXIETY OR PSYCHOSIS JANSSEN PHARMACEUTICA N.V. (BE) 2001-10-16 US disclosed
EP-1015451-A1 TETRAHYDRO GAMMA-CARBOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2000-07-05 EP disclosed
EP-0905136-A1 Tetrahydro gamma-carbolines JANSSEN PHARMACEUTICA N.V. (BE) 1999-03-31 EP disclosed
WO-1999012926-A1 TETRAHYDRO GAMMA-CARBOLINES JANSSEN PHARMACEUTICA N.V. (BE) 1999-03-18 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-20020103209-A1 Tetrahydro gamma-carbolines OPRD1, CYP1B1, CBR1 CYP3A4 42/4885HDAC1 1480/4885HDAC6 1853/4885

“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.