SCHEMBL2072279

SCHEMBL2072279

CNCCC(c1ccccc1)c1cc2ccc(OC)cc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ GPR55 Q9Y2T6 1/20 0.49
▸ SLC6A4 P31645 5/20 0.46
▸ SLC6A2 P23975 3/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ NOS2 P35228 2/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MTNR1A P48039 4/20 0.44
▸ MTNR1B P49286 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CYP19A1 P11511 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 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
SCHEMBL2073831 0.91 HTR2A (0.49) HTR2AHRH1GPR55SLC6A4SLC6A2
SCHEMBL2074390 0.84 HTR2A (0.59) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL2071357 0.76 SLC6A4 (0.50) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL2073834 0.76 SLC6A2 (0.50) HTR2AHRH1GPR55SLC6A4SLC6A2
SCHEMBL2073550 0.75 SLC6A4 (0.48) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL2072549 0.72 SLC6A4 (0.48) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL6822627 0.71 NPC1 (0.66) GPR55NPC1RAB9AKDM4EALDH1A1
SCHEMBL5240659 0.71 ALDH1A1 (0.56) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL31173753 0.71 MTNR1A (0.51) HTR2AGPR55CYP2D6NPC1RAB9A
SCHEMBL28569381 0.70 NPC1 (0.50) NPC1RAB9AKDM4EALDH1A1POLB

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-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 — — US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 — — US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 — — US disclosed
EP-1756054-B1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR HOFFMANN LA ROCHE (CH) 2010-03-31 — — EP disclosed
US-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC 2006-02-02 — — 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-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors TPH1, HTR1A, HTR3A HTR2A 17/4885HRH1 226/4885GPR55 823/4885

“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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