SCHEMBL2688541

SCHEMBL2688541

FC(F)(F)c1ccc(NCC2CC3(CCN2)CC3)nc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPY5R Q15761 1/20 0.39
IL1B P01584 5/20 0.38
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL11896989 1.00 NPC1 (0.41) NPC1RAB9ACYP3A4NPY5RIL1B
SCHEMBL15229464 0.88 IL1B (0.45) NPC1RAB9ANPY5RIL1B
SCHEMBL16530785 0.84 IDH1 (0.34)
SCHEMBL16530784 0.84 IDH1 (0.34)
SCHEMBL18250667 0.81 CCNT1 (0.31)
SCHEMBL22761841 0.81 IL1B (0.53) NPC1RAB9AIL1B
SCHEMBL11897136 0.81 ADRA2A (0.37)
SCHEMBL934703 0.81 ADRA2A (0.37)
SCHEMBL23963612 0.78 NPC1 (0.43) NPC1RAB9ACYP3A4NPY5R
SCHEMBL296168 0.77 IL1B (0.41) NPC1RAB9AIL1B

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-9498478-B2 Spiro aminic compounds with NK1 antagonist activity ROTTAPHARM BIOTECH S.R.L. (IT) 2016-11-22 US disclosed
US-20160045500-A1 SPIRO AMINIC COMPOUNDS WITH NK1 ANTAGONIST ACTIVITY Rottapharm Biotech Srl (IT) 2016-02-18 US disclosed
EP-2670745-B1 SPIRO AMINIC COMPOUNDS WITH NK1 ANTAGONIST ACTIVITY Rottapharm Biotech Srl (IT) 2015-11-04 EP disclosed
EP-2454252-B1 Spiro amino compounds suitable for the treatment of (inter alia) sleep disorders and drug addiction Rottapharm Biotech Srl (IT) 2015-03-04 EP disclosed
EP-2454252-B1 Spiro amino compounds suitable for the treatment of (inter alia) sleep disorders and drug addiction Rottapharm Biotech Srl (IT) 2015-03-04 EP disclosed
US-8859608-B2 Spiro amino compounds suitable for the treatment of inter alia sleep disorders and drug addiction ROTTAPHARM BIOTECH S.R.L. (IT) 2014-10-14 US disclosed
US-8859608-B2 Spiro amino compounds suitable for the treatment of inter alia sleep disorders and drug addiction ROTTAPHARM BIOTECH S.R.L. (IT) 2014-10-14 US disclosed
EP-2670745-A1 SPIRO AMINIC COMPOUNDS WITH NK1 ANTAGONIST ACTIVITY Rottapharm S.p.A. (IT) 2013-12-11 EP disclosed
US-20130310400-A1 SPIRO AMINIC COMPOUNDS WITH NK1 ANTAGONIST ACTIVITY ROTTAPHARM S.P.A. (IT) 2013-11-21 US disclosed
WO-2012104338-A1 SPIRO AMINIC COMPOUNDS WITH NK1 ANTAGONIST ACTIVITY ROTTAPHARM S.P.A. (IT) 2012-08-09 WO disclosed
EP-2484674-A1 Spiro aminic compounds with NK1 antagonist activity ROTTAPHARM S.P.A. (IT) 2012-08-08 EP disclosed
US-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM BIOTECH S.R.L. (IT) 2012-05-10 US disclosed
US-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM BIOTECH S.R.L. (IT) 2012-05-10 US disclosed
WO-2011006960-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM S.P.A. (IT) 2011-01-20 WO disclosed
EP-2275421-A1 Spiro amino compounds suitable for the treatment of inter alia sleep disorders and drug addiction Rottapharm S.p.A. (IT) 2011-01-19 EP 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 (3 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-20130310400-A1 SPIRO AMINIC COMPOUNDS WITH NK1 ANTAGONIST ACTIVITY TACR2, TACR1, TAC3 NPC1 671/4885RAB9A 3105/4885CYP3A4 1936/4885
US-20160045500-A1 SPIRO AMINIC COMPOUNDS WITH NK1 ANTAGONIST ACTIVITY TACR2, TACR1, TAC3 NPC1 671/4885RAB9A 3105/4885CYP3A4 1936/4885
US-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION SLC1A1, SLC6A3, SLC1A2 NPC1 465/4885RAB9A 1184/4885CYP3A4 516/4885

“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.