SCHEMBL4685681

SCHEMBL4685681

CN1Cc2c(ccc3occc23)C(c2ccc(F)c(F)c2)C1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.63
SLC6A3 Q01959 17/20 0.63
SLC6A4 P31645 16/20 0.55
CYP2D6 P10635 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
SCHEMBL4689106 1.00 SLC6A2 (0.63) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL4689123 1.00 SLC6A2 (0.63) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL4686469 0.86 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL4689826 0.86 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL4686468 0.86 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL4685901 0.85 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL4685912 0.85 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL4688983 0.85 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL4689457 0.84 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL4686781 0.84 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318997-A1 NOVEL 4-PHENYL SUBSTITUTED TETRAHYDROISOQUINOLINES AND THERAPEUTIC USE THEREOF AMR TECHNOLOGY, INC. (US) 2008-12-25 US claimed
US-7419985-B2 4-Phenyl substituted tetrahydroisoquinolines and therapeutic use thereof AMR TECHNOLOGY, INC. (US) 2008-09-02 US claimed
US-7084152-B2 4-phenyl substituted tetrahydroisoquinolines therapeutic use thereof AMR TECHNOLOGY, INC. (US) 2006-08-01 US claimed
US-20060111385-A1 Novel 4-phenyl substituted tetrahydroisoquinolines and therapeutic use thereof ALBANY MOLECULAR RESEARCH, INC. 2006-05-25 US claimed
US-20060111386-A1 Novel 4-phenyl substituted tetrahydroisoquinolines and therapeutic use thereof AMR TECHNOLOGY, INC. (US) 2006-05-25 US claimed
US-20060025435-A1 Novel 4-phenyl substituted tetrahydroisoquinolines and therapeutic use thereof AMR TECHNOLOGY, INC. (US) 2006-02-02 US claimed
US-20040248925-A1 Use of 4-phenyl substituted tetrahydroisoquinolines in the treatment of pain, migraine and urinary incontinence PHARMACIA & UPJOHN COMPANY 2004-12-09 US claimed
US-20020091134-A1 Novel 4-phenyl substituted tetrahydroiso quinolines therapeutic use thereof APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2002-07-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20060111386-A1 Novel 4-phenyl substituted tetrahydroisoquinolines and therapeutic use thereof HTR2C, HTR3B, HTR2B SLC6A2 10/4885SLC6A3 13/4885SLC6A4 19/4885
US-20060111385-A1 Novel 4-phenyl substituted tetrahydroisoquinolines and therapeutic use thereof HTR2C, HTR3B, HTR2B SLC6A2 10/4885SLC6A3 13/4885SLC6A4 19/4885
US-20080318997-A1 NOVEL 4-PHENYL SUBSTITUTED TETRAHYDROISOQUINOLINES AND THERAPEUTIC USE THEREOF GRIN2C, HTR3B, HTR2C SLC6A2 5/4885SLC6A3 9/4885SLC6A4 14/4885
US-20020091134-A1 Novel 4-phenyl substituted tetrahydroiso quinolines therapeutic use thereof HTR3B, GRIN2C, HTR2B SLC6A2 5/4885SLC6A3 7/4885SLC6A4 12/4885
US-20060025435-A1 Novel 4-phenyl substituted tetrahydroisoquinolines and therapeutic use thereof GRIN2C, HTR3B, HTR2C SLC6A2 5/4885SLC6A3 9/4885SLC6A4 14/4885
US-20040248925-A1 Use of 4-phenyl substituted tetrahydroisoquinolines in the treatment of pain, migraine and urinary incontinence HTR3B, HTR2C, HTR2B SLC6A2 56/4885SLC6A3 223/4885SLC6A4 132/4885

“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.