SCHEMBL2866233

SCHEMBL2866233

CN1CCC(Oc2cccc(Cl)c2C(F)(F)F)c2ccoc2C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 4/20 0.35
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
TIPARP Q7Z3E1 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SSTR1 P30872 3/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM3 P20309 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
SCHEMBL2836900 0.86 ALDH1A1 (0.34) SSTR4KDM4EMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL2835500 0.85 ALDH1A1 (0.33) SSTR4KDM4EMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL2840884 0.85 SCD (0.37) SSTR4SSTR1
Hydrochloric Acid SCHEMBL2844001 0.81 NPSR1 (0.31) ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL3579452 0.80 SSTR4 (0.40) SSTR4KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL2842783 0.80 SSTR1 (0.31) SSTR4SSTR1
Hydrochloric Acid SCHEMBL2837962 0.79 SSTR1 (0.30) SSTR4SSTR1
Hydrochloric Acid SCHEMBL2841114 0.79 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL2844254 0.78 SLC6A2 (0.36) SSTR4CHRM3
SCHEMBL2882304 0.78 HTR2A (0.40) KDM4EMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US disclosed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 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 (1 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-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 SSTR4 1737/4885RBP4 4539/4885TTR 4508/4885

“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.