SCHEMBL275516

SCHEMBL275516

CCCN1CC=Cc2c1ccc1ccccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ P2RX4 Q99571 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RCE1 Q9Y256 1/20 0.32

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
SCHEMBL11170775 0.81 P2RX4 (0.41) ALDH1A1MEN1KMT2AP2RX4KDM4E
SCHEMBL30753563 0.71 KMT2A (0.42) SLC6A4DRD2ALDH1A1MEN1KMT2A
SCHEMBL9008261 0.71 KMT2A (0.42) SLC6A4DRD2ALDH1A1MEN1KMT2A
SCHEMBL12776605 0.70 P2RX4 (0.49) ALDH1A1MEN1KMT2AP2RX4KDM4E
SCHEMBL31587978 0.70 P2RX4 (0.38) ALDH1A1P2RX4MAPT
SCHEMBL15413770 0.70 P2RX4 (0.40) ALDH1A1P2RX4KDM4EGLAGAA
SCHEMBL16736488 0.66 P2RX4 (0.43) ALDH1A1MEN1KMT2AP2RX4KDM4E
Ammonia Solution, Strong SCHEMBL4822367 0.66 ALDH1A1 (0.41) SLC6A4DRD2ALDH1A1MEN1KMT2A
SCHEMBL275515 0.65 MAPT (0.37) SLC6A4DRD2ALDH1A1MEN1KMT2A
SCHEMBL26555682 0.64 P2RX4 (0.43) ALDH1A1MEN1KMT2AP2RX4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43244-E1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use H. LUNDBECK A/S (DK) 2012-03-13 — — US disclosed
US-RE42802-E1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use H. LUNDBECK A/S (DK) 2011-10-04 — — US disclosed
US-6998405-B2 Parkinson's and Huntington's disease; psychoses, impotence, renal or heart failure, schizophrenia H. LUNDBECK A/S (DK) 2006-02-14 — — US disclosed
US-6683087-B2 TREATMENT OF PARKINSON'S DISEASE, PSYCHOSES, HUNTINGTON'S DISEASE, IMPOTENCE, RENAL FAILURE, HEART FAILURE OR HYPERTENSION AXON BIOCHEMICALS B.V. (NL) 2004-01-27 — — US disclosed
US-20030087948-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use H. LUNDBECK A/S (DK) 2003-05-08 — — 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-20030087948-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use ADRA1D, ABCE1, ADRA1B SLC6A4 289/4885DRD2 9/4885ALDH1A1 852/4885

“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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