SCHEMBL2301481

SCHEMBL2301481

COCOc1cc(C(F)(F)F)ccc1OC1C2CCC1CN(c1ccc(C#N)cn1)C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.42
SGPL1 O95470 2/20 0.40
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
PDE4B Q07343 1/20 0.37
TIPARP Q7Z3E1 1/20 0.35
RET P07949 1/20 0.35
PANK3 Q9H999 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
GPR6 P46095 1/20 0.35
AR P10275 1/20 0.34
MAOB P27338 1/20 0.34
CCR6 P51684 1/20 0.34

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
SCHEMBL2301483 1.00 SMO (0.42) SMOSGPL1HCRTR1HCRTR2PDE4B
SCHEMBL12244267 1.00 SMO (0.42) SMOSGPL1HCRTR1HCRTR2PDE4B
SCHEMBL14145917 0.87 HCRTR1 (0.41) SMOHCRTR1HCRTR2
SCHEMBL12243613 0.87 SMO (0.40) SMOSGPL1HCRTR1HCRTR2TIPARP
SCHEMBL12222741 0.87 PDE4B (0.38) SMOPDE4BRETPANK3GPR119
SCHEMBL10107157 0.86 HCRTR1 (0.46) SMOHCRTR1HCRTR2GPR119
SCHEMBL382980 0.86 HCRTR1 (0.46) SMOHCRTR1HCRTR2GPR119
SCHEMBL12243614 0.84 HCRTR1 (0.37) SMOSGPL1HCRTR1HCRTR2PDE4B
SCHEMBL1726594 0.84 HCRTR1 (0.37) SMOSGPL1HCRTR1HCRTR2PDE4B
SCHEMBL1726595 0.84 HCRTR1 (0.37) SMOSGPL1HCRTR1HCRTR2PDE4B

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-8697867-B2 Cross-linked cyclic amine compounds and agents for pest control NIPPON SODA CO., LTD. (JP) 2014-04-15 US disclosed
US-20130331569-A1 CROSS-LINKED CYCLIC AMINE COMPOUNDS AND AGENTS FOR PEST CONTROL NIPPON SODA CO., LTD. (JP) 2013-12-12 US disclosed
US-8536340-B2 Cross-linked cyclic amine compounds and agents for pest control NIPPON SODA CO., LTD. (JP) 2013-09-17 US disclosed
US-8338607-B2 Cyclic amine compounds and agents for pest control NIPPON SODA CO., LTD. (JP) 2012-12-25 US disclosed
US-20110257389-A1 CROSS-LINKED CYCLIC AMINE COMPOUNDS AND AGENTS FOR PEST CONTROL NIPPON SODA CO., LTD. (JP) 2011-10-20 US disclosed
US-7999102-B2 Cross-linked cyclic amine compounds and agents for pest control NIPPON SODA CO., LTD. (JP) 2011-08-16 US disclosed
US-20090318694-A1 Cross-Linked Amine Compounds and Agents for Pest Control NIPPON SODA CO., LTD. (JP) 2009-12-24 US disclosed
US-20090259046-A1 Cyclic Amine Compounds and Agents for Pest Control NIPPON SODA CO., LTD. (JP) 2009-10-15 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 (4 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-20110257389-A1 CROSS-LINKED CYCLIC AMINE COMPOUNDS AND AGENTS FOR PEST CONTROL CYCS, NPY1R, CYBB SMO 2441/4885SGPL1 2579/4885HCRTR1 84/4885
US-20090259046-A1 Cyclic Amine Compounds and Agents for Pest Control NPR1, CYCS, CYC1 SMO 3364/4885SGPL1 1689/4885HCRTR1 115/4885
US-20130331569-A1 CROSS-LINKED CYCLIC AMINE COMPOUNDS AND AGENTS FOR PEST CONTROL CYCS, NPY1R, CYBB SMO 2441/4885SGPL1 2579/4885HCRTR1 84/4885
US-20090318694-A1 Cross-Linked Amine Compounds and Agents for Pest Control CYCS, NPY1R, CYBB SMO 2707/4885SGPL1 2460/4885HCRTR1 100/4885

“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.