SCHEMBL6767852

SCHEMBL6767852

c1ccc2c(CCCNCC3COc4ccc5[nH]ncc5c4O3)c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.51
MAPT P10636 2/20 0.49
DRD2 P14416 3/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HTR6 P50406 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
SCHEMBL6792078 0.83 HTR1A (0.50) HTR1AMAPTDRD2HTR2AHTR2C
SCHEMBL5233991 0.82 HTR1A (0.54) HTR1AMAPTDRD2HTR2AHTR2C
SCHEMBL7828214 0.82 MAPT (0.70) HTR1AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL6319964 0.81 MAPT (0.51) HTR1AMAPTDRD2HTR2AHTR2C
SCHEMBL5957060 0.80 MAPT (0.51) HTR1AMAPTDRD2HTR2AHTR2C
SCHEMBL5233437 0.79 HTR1A (0.54) HTR1AMAPTDRD2HTR2AHTR2C
SCHEMBL7817707 0.79 MAPT (0.68) HTR1AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL7826778 0.78 MAPT (0.59) HTR1AMAPTDRD2SMN1; SMN2MEN1
SCHEMBL5240201 0.76 HTR1A (0.65) HTR1A
SCHEMBL5232473 0.76 HTR1A (0.65) HTR1A

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-6800641-B2 FOR THERAPY OF SCHIZOPHRENIA, SCHIZOAFFECTIVE DISORDER, BIPOLAR DISORDER, PARKINSON'S DISEASE, L-DOPA INDUCED PSYCHOSES OR DYSKINESIAS, TOURETTE'S SYNDROME, HYPERPROLACTINEMIA, OR ADDICTION TO ETHANOL, NICOTINE, COCAINE WYETH 2004-10-05 US claimed
US-20020183331-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-2,3-diaza-cyclopenta[a]naphthalene WYETH 2002-12-05 US claimed
WO-2002088133-A1 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-6,9-DIOXA-2,3-DIAZA-CYCLOPENTA[a]NAPHTHALENE WYETH (US) 2002-11-07 WO claimed
US-6800641-B2 FOR THERAPY OF SCHIZOPHRENIA, SCHIZOAFFECTIVE DISORDER, BIPOLAR DISORDER, PARKINSON'S DISEASE, L-DOPA INDUCED PSYCHOSES OR DYSKINESIAS, TOURETTE'S SYNDROME, HYPERPROLACTINEMIA, OR ADDICTION TO ETHANOL, NICOTINE, COCAINE WYETH 2004-10-05 US disclosed
US-20020183331-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-2,3-diaza-cyclopenta[a]naphthalene WYETH 2002-12-05 US disclosed
WO-2002088133-A1 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-6,9-DIOXA-2,3-DIAZA-CYCLOPENTA[a]NAPHTHALENE WYETH (US) 2002-11-07 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-20020183331-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-2,3-diaza-cyclopenta[a]naphthalene SNCA, SYNJ1, SLC6A3 HTR1A 86/4885MAPT 91/4885DRD2 13/4885

“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.