SCHEMBL2698673

SCHEMBL2698673

CCCC[C@@H]1CCC[C@@H](C)N1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
S1PR2 O95136 2/20 0.46
S1PR4 O95977 2/20 0.46
S1PR1 P21453 2/20 0.46
S1PR3 Q99500 2/20 0.46
S1PR5 Q9H228 2/20 0.46
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
GLB1 P16278 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
SCHEMBL2698676 1.00 CYP2C9 (0.48) CYP2C9TSHRCYP2C19TDP1S1PR2
SCHEMBL2698680 1.00 CYP2C9 (0.48) CYP2C9TSHRCYP2C19TDP1S1PR2
Hydrochloric Acid SCHEMBL2691393 0.98 CYP2C9 (0.46) CYP2C9TSHRCYP2C19TDP1S1PR2
Hydrochloric Acid SCHEMBL2691396 0.98 CYP2C9 (0.46) CYP2C9TSHRCYP2C19TDP1S1PR2
Hydrochloric Acid SCHEMBL2691397 0.98 CYP2C9 (0.46) CYP2C9TSHRCYP2C19TDP1S1PR2
SCHEMBL2688465 0.92 S1PR2 (0.55) CYP2C9TSHRCYP2C19TDP1S1PR2
Hydrochloric Acid SCHEMBL2688384 0.92 S1PR2 (0.51) CYP2C9TSHRCYP2C19TDP1S1PR2
Hydrochloric Acid SCHEMBL2688382 0.92 S1PR2 (0.51) CYP2C9TSHRCYP2C19TDP1S1PR2
SCHEMBL3220463 0.92 S1PR2 (0.55) CYP2C9TSHRCYP2C19TDP1S1PR2
SCHEMBL2697951 0.92 S1PR2 (0.55) CYP2C9TSHRCYP2C19TDP1S1PR2

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-8168657-B2 administering a solenopsin derivative such as 2-methyl-6-(2-phenylethyl)piperidine or other piperidine derivatives to treat a tumor or cancer in a patient BOWEN J PHILLIP (US) 2012-05-01 US disclosed
US-20050038071-A1 Solenopsin a, b and analogs and as novel angiogenesis inhibitors BOWEN J PHILLIP (US) 2005-02-17 US disclosed
US-6369078-B1 Solenopsin derivatives and analogues as fire ant suppressants BOWEN J PHILLIP (US) 2002-04-09 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 (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-20050038071-A1 Solenopsin a, b and analogs and as novel angiogenesis inhibitors VEGFA, TEK, FLT1 CYP2C9 3945/4885TSHR 4702/4885CYP2C19 3147/4885

“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.