SCHEMBL2688415

SCHEMBL2688415

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL2688418 1.00 CYP2C9 (0.46) CYP2C9TSHRCYP2C19TDP1CHRM2
SCHEMBL2688419 1.00 CYP2C9 (0.46) CYP2C9TSHRCYP2C19TDP1CHRM2
Hydrochloric Acid SCHEMBL7202039 0.98 TSHR (0.44) CYP2C9TSHRCYP2C19TDP1CHRM2
Hydrochloric Acid SCHEMBL2689316 0.98 TSHR (0.44) CYP2C9TSHRCYP2C19TDP1CHRM2
Hydrochloric Acid SCHEMBL2689317 0.98 TSHR (0.44) CYP2C9TSHRCYP2C19TDP1CHRM2
Hydrochloric Acid SCHEMBL2689322 0.98 TSHR (0.44) CYP2C9TSHRCYP2C19TDP1CHRM2
SCHEMBL2691455 0.89 CYP2C9 (0.43) CYP2C9TSHRCYP2C19TDP1CHRM2
SCHEMBL2691460 0.89 CYP2C9 (0.43) CYP2C9TSHRCYP2C19TDP1CHRM2
SCHEMBL2691453 0.89 CYP2C9 (0.43) CYP2C9TSHRCYP2C19TDP1CHRM2
Hydrochloric Acid SCHEMBL2688904 0.87 TSHR (0.41) CYP2C9TSHRCYP2C19TDP1CHRM2

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.