SCHEMBL620932

SCHEMBL620932

NCC(Cc1ccccc1)c1cccc(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.47
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGDS O60760 2/20 0.43
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
KYNU Q16719 1/20 0.42
EPHX1 P07099 1/20 0.41
ADRB1 P08588 1/20 0.41
MIF P14174 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
GRIA2 P42262 1/20 0.41

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
SCHEMBL28311611 0.90 ENPP2 (0.52) ENPP2DRD2DRD1TAAR1SLC6A2
SCHEMBL27338429 0.85 SLC6A2 (0.43) ENPP2SLC6A2SLC6A4SLC6A3HPGDS
SCHEMBL28756553 0.84 ADRB1 (0.50) ENPP2DRD2DRD1TAAR1SLC6A3
SCHEMBL10269974 0.83 LOXL2 (0.50) ENPP2TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1541691 0.82 GABBR2 (0.53) TAAR1SLC6A2SLC6A4SLC6A3GABBR2
SCHEMBL8810284 0.82 GABBR2 (0.53) TAAR1SLC6A2SLC6A4SLC6A3GABBR2
SCHEMBL8621230 0.82 GABBR2 (0.53) TAAR1SLC6A2SLC6A4SLC6A3GABBR2
SCHEMBL15903897 0.81 ESR1 (0.55) TAAR1SLC6A2GABBR2GABBR1
SCHEMBL5308855 0.81 ESR1 (0.55) TAAR1GABBR2GABBR1
SCHEMBL7404356 0.81 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238619-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-19 US disclosed
US-9238619-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-19 US disclosed
US-9238619-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-19 US disclosed
US-8877794-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-04 US disclosed
US-8877794-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-04 US disclosed
US-8877794-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-04 US disclosed
US-20140256701-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-11 US disclosed
US-20140256701-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-11 US disclosed
US-20140256701-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-11 US disclosed
EP-2603487-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2013-06-19 EP disclosed
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-03-29 US disclosed
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-03-29 US disclosed
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-03-29 US disclosed
WO-2012020130-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-02-16 WO disclosed
WO-2012020130-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-02-16 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 (2 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-20140256701-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT ENPP2 1241/4885DRD2 2250/4885DRD1 2632/4885
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT ENPP2 1241/4885DRD2 2250/4885DRD1 2632/4885

“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.