SCHEMBL7557182

SCHEMBL7557182

OC[C@@H]1Cc2ccccc2N1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 9/20 0.50
▸ MTNR1B P49286 3/20 0.49
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL11389829 0.85 MTNR1A (0.48) MTNR1AMTNR1BHDAC11HDAC8HDAC6
SCHEMBL7554460 0.84 MTNR1A (0.47) MTNR1AMTNR1BDRD2DRD4HDAC11
SCHEMBL7554464 0.84 MTNR1A (0.47) MTNR1AMTNR1BDRD2DRD4HDAC11
SCHEMBL27883632 0.84 MTNR1A (0.51) MTNR1AMTNR1BDRD2DRD4BRD4
SCHEMBL11395137 0.80 CHRM2 (0.41) MTNR1AMTNR1BDRD2DRD4GAA
SCHEMBL6102422 0.80 CHRM2 (0.41) MTNR1AMTNR1BDRD2DRD4GAA
SCHEMBL6101026 0.80 CHRM2 (0.41) MTNR1AMTNR1BDRD2DRD4GAA
SCHEMBL11065983 0.78 EHMT2 (0.49) GAAMEN1KMT2ALMNA
SCHEMBL27278853 0.78 EHMT2 (0.49) GAAMEN1KMT2ALMNA
SCHEMBL27818626 0.78 MTNR1A (0.45) MTNR1AMTNR1BHDAC11HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128274-A1 Benzylpiperazinyl-indolinylethanones NEUROGEN CORPORATION. 2002-09-12 — — US disclosed
US-6355644-B1 NERVOUS SYSTEM DISORDERS AND TREATMENT OF SCHIZOPHRENIA AND BIPOLAR DISORDER NEUROGEN CORPORATION 2002-03-12 — — 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 (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-20020128274-A1 Benzylpiperazinyl-indolinylethanones GABRP, GABBR1, GABARAP MTNR1A 311/4885MTNR1B 255/4885DRD2 30/4885

“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.

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