SCHEMBL12629640

SCHEMBL12629640

N#Cc1ccc2c(c1)C(C1(c3ccccn3)CCC1)NCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.43
KDM1A O60341 2/20 0.38
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
PNMT P11086 1/20 0.36
CYP3A4 P08684 2/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MEN1 O00255 2/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
SLC11A2 P49281 1/20 0.33
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
HSD11B1 P28845 2/20 0.32
LRRK2 Q5S007 1/20 0.32
RECQL P46063 1/20 0.32
SYK P43405 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31

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
Hydrochloric Acid SCHEMBL989881 0.99 SLC6A9 (0.42) SLC6A9KDM1ADRD2DRD3PNMT
SCHEMBL989947 0.84 SLC6A9 (0.60) SLC6A9DRD2DRD3CYP3A4
Oxalic Acid SCHEMBL7425176 0.77 HTR2A (0.42) SLC6A9KDM1ACYP3A4MEN1HSD11B1
SCHEMBL12102173 0.76 SLC6A9 (0.71) SLC6A9KDM1ADRD2DRD3PNMT
Hydrochloric Acid SCHEMBL989923 0.76 SLC6A9 (0.70) SLC6A9KDM1ADRD2DRD3PNMT
SCHEMBL989087 0.75 HSD11B1 (0.38) KDM1ADRD2DRD3CYP3A4IDO1
SCHEMBL12096077 0.74 SLC6A9 (0.41) SLC6A9CYP3A4
SCHEMBL8017098 0.73 SLC6A9 (0.52) SLC6A9CYP3A4MEN1
SCHEMBL8033549 0.71 DRD2 (0.39) KDM1ADRD2HSD11B1
SCHEMBL7423986 0.71 PKM (0.45) MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957089-B2 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-02-17 US claimed
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2013-08-08 US claimed
CN-103224487-A Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBOTT GMBH & CO KG 2013-07-31 CN claimed
US-8957089-B2 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-02-17 US disclosed
US-8957089-B2 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-02-17 US disclosed
US-8653100-B2 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2014-02-18 US disclosed
US-8653100-B2 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2014-02-18 US disclosed
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2013-08-08 US disclosed
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2013-08-08 US disclosed
US-20110105502-A1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott BmbH & Co. KG (DE) 2011-05-05 US disclosed
US-20110105502-A1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott BmbH & Co. KG (DE) 2011-05-05 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 (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-20110105502-A1 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY GOLT1B, SLC10A1, SUGT1 SLC6A9 73/4885KDM1A 2843/4885DRD2 2992/4885
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy GOLT1B, SLC10A1, SUGT1 SLC6A9 73/4885KDM1A 2843/4885DRD2 2992/4885

“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.