SCHEMBL6001031

SCHEMBL6001031

O=CN[C@H]1CCCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
EPHX1 P07099 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 2/20 0.51
TAS1R3 Q7RTX0 3/20 0.50
TAS1R1 Q7RTX1 3/20 0.50
TAS1R2 Q8TE23 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL3532080 1.00 HTT (0.55) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL3532081 1.00 HTT (0.55) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL24106055 0.95 EPHX1 (0.51) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL1600934 0.89 PDPK1 (0.59) HTTALDH1A1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL2461645 0.89 PDPK1 (0.59) HTTALDH1A1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL598847 0.89 PDPK1 (0.59) HTTALDH1A1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL8613632 0.83 HTT (0.56) HTTALDH1A1KMT2AMEN1EPHX1
Pyridine SCHEMBL28149473 0.80 PDPK1 (0.49) HTTALDH1A1TSHR
SCHEMBL2115700 0.80 HTT (0.63) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL19120324 0.79 ALDH1A1 (0.54) HTTALDH1A1KMT2AMEN1EPHX1

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
EP-1542961-B1 TRANS 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPTHALENAMINE FOR USE IN TREATMENT OF CNS DISORDERS SEPRACOR INC (US) 2013-09-11 EP disclosed
US-8344030-B2 Treatment of CNS disorders with trans 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-napthalenamine SUNOVION PHARMACEUTICALS INC. (US) 2013-01-01 US disclosed
EP-2455075-A1 Combinations of Eszopiclone and trans 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-napthalenamine or trans 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-napthalenamine, and Methods of Treatment of Menopause and Mood, Anxiety, & Cognitive Disorders Sepracor Inc. (US) 2012-05-23 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
US-20070282007-A1 TREATMENT OF PAIN DISORDERS WITH trans 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE AND ITS FORMAMIDE SEPRACOR INC. (US) 2007-12-06 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-20070282007-A1 TREATMENT OF PAIN DISORDERS WITH trans 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE AND ITS FORMAMIDE HTR4, HTR1D, HTR1A HTT 94/4885ALDH1A1 494/4885KMT2A 942/4885

“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.