SCHEMBL10200550

SCHEMBL10200550

C[C@@H]1CC[C@H](C)N1c1ccc2c(n1)OCCNC2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.35
CNR2 P34972 6/20 0.33
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
S1PR1 P21453 1/20 0.31
CNR1 P21554 3/20 0.31
EGLN2 Q96KS0 1/20 0.31
NTRK1 P04629 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
SCHEMBL2113026 1.00 ASIC3 (0.35) ASIC3CNR2HTR2CHTR2AHTR2B
Bromide SCHEMBL2110534 0.99 ASIC3 (0.35) ASIC3CNR2HTR2CHTR2AHTR2B
SCHEMBL2112077 0.82 ASIC3 (0.49) ASIC3HTR2CS1PR1EGLN2NTRK1
SCHEMBL2110389 0.82 HTR2C (0.35) HTR2CHTR2AHTR2B
SCHEMBL2110825 0.81 ASIC3 (0.53) ASIC3S1PR1EGLN2NTRK1
SCHEMBL2112110 0.81 ASIC3 (0.53) ASIC3S1PR1EGLN2NTRK1
SCHEMBL2110829 0.81 ASIC3 (0.53) ASIC3S1PR1EGLN2NTRK1
Hydrochloric Acid SCHEMBL2109965 0.80 ASIC3 (0.53) ASIC3S1PR1EGLN2NTRK1
Hydrochloric Acid SCHEMBL2110265 0.80 ASIC3 (0.53) ASIC3S1PR1EGLN2NTRK1
Hydrochloric Acid SCHEMBL2109960 0.80 ASIC3 (0.53) ASIC3S1PR1EGLN2NTRK1

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-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
EP-2742936-A1 Fused heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-06-18 EP disclosed
EP-2727585-A1 In-vivo screening method Takeda Pharmaceutical Company Limited (JP) 2014-05-07 EP disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 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-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B ASIC3 969/4885CNR2 27/4885HTR2C 1/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B ASIC3 969/4885CNR2 27/4885HTR2C 1/4885

“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.