SCHEMBL617041

SCHEMBL617041

CNCC1Cc2cc(F)c(CCNS(=O)(=O)c3cnn(C)c3)cc2C1Cc1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.39
SOST Q9BQB4 1/20 0.34
HTR6 P50406 4/20 0.34
NPY5R Q15761 3/20 0.34
DGAT1 O75907 1/20 0.33
MGAT3 Q09327 1/20 0.33
MGAT2 Q10469 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ERBB2 P04626 1/20 0.30
ERBB4 Q15303 1/20 0.30
SGMS1 Q86VZ5 1/20 0.30

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
SCHEMBL618004 0.93 SLC6A9 (0.39) SLC6A9HTR6NPY5RMAPTLMNA
SCHEMBL614683 0.93 SLC6A9 (0.41) SLC6A9HTR6NPY5RCARM1PRMT6
SCHEMBL615199 0.92 SLC6A9 (0.37) SLC6A9HTR6NPY5RCARM1PRMT6
SCHEMBL616584 0.91 SLC6A9 (0.40) SLC6A9HTR6CARM1PRMT6ERBB2
SCHEMBL615099 0.89 SLC6A9 (0.43) SLC6A9SOSTNPY5RDGAT1MGAT3
SCHEMBL615040 0.89 SLC6A9 (0.38) SLC6A9SOSTHTR6NPY5RDGAT1
SCHEMBL617677 0.88 SLC6A9 (0.46) SLC6A9HTR6NPY5R
SCHEMBL616845 0.86 SLC6A9 (0.44) SLC6A9LMNAKMT2A
SCHEMBL614814 0.85 SLC6A9 (0.37) SLC6A9NPY5RPOLB
SCHEMBL628560 0.85 SLC6A9 (0.39) SLC6A9NPY5RCARM1PRMT6TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051280-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-09 US claimed
EP-2709987-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2014-03-26 EP claimed
WO-2012020133-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-02-16 WO claimed
US-9051280-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-09 US disclosed
US-8883839-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-11 US disclosed
US-8883839-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-11 US disclosed
US-20120295881-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-11-22 US disclosed
WO-2012020133-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-02-16 WO disclosed
US-20120040947-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-02-16 US disclosed
US-20120040947-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-02-16 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-20120040947-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC10A1, SUGT1, SLC10A2 SLC6A9 42/4885SOST 947/4885HTR6 1604/4885
US-20120295881-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC10A1, SUGT1, SLC10A2 SLC6A9 42/4885SOST 947/4885HTR6 1604/4885

“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.