SCHEMBL11587102

SCHEMBL11587102

CCC(C)(C)N1CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.37
NPC1 O15118 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9925976 1.00 CYP2B6 (0.37) CYP2B6NPC1HRH3ALDH1A1KMT2A
SCHEMBL178517 0.97 CYP2B6 (0.33) CYP2B6NPC1HRH3TSHRTDP1
SCHEMBL18059326 0.92
SCHEMBL21121000 0.85 HRH3 (0.38) HRH3ALDH1A1TSHRTDP1
SCHEMBL24419835 0.82 HRH3 (0.33) HRH3
SCHEMBL21207913 0.80 CYP2B6 (0.32) CYP2B6NPC1
SCHEMBL22871678 0.80 CYP2B6 (0.38) CYP2B6NPC1KMT2A
SCHEMBL23336586 0.80 CYP2B6 (0.38) CYP2B6NPC1KMT2A
SCHEMBL11990045 0.79 CYP2B6 (0.34) CYP2B6NPC1
SCHEMBL18745418 0.79 CYP2B6 (0.34) CYP2B6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 US disclosed
US-20210070703-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION UNIV DREXEL (US) 2021-03-11 US disclosed
US-20190107534-A1 AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS HOWARD HUGHES MEDICAL INSTITUTE 2019-04-11 US disclosed
US-9758477-B2 Sulfamoylbenzamide derivatives as antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2017-09-12 US disclosed
US-20170137426-A1 HETEROCYCLIC COMPOUNDS AS AXL INHIBITORS CHANGZHOU JIEKAI PHARMATECH CO., LTD. (CN) 2017-05-18 US disclosed
US-4131469-A POLYSTYRENE WITH QUATERNARY AMMONIUM SUBSTITUENTS FUJI PHOTO FILM CO., LTD. (JP) 1978-12-26 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-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS SLC40A1, HAMP, SLC19A1 CYP2B6 889/4885NPC1 897/4885HRH3 2353/4885
US-20170137426-A1 HETEROCYCLIC COMPOUNDS AS AXL INHIBITORS AXL, FLT3, MERTK CYP2B6 3715/4885NPC1 4423/4885HRH3 3156/4885
US-20210070703-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION ALKBH5, SULT1A1, SHMT1 CYP2B6 94/4885NPC1 3197/4885HRH3 3945/4885
US-20190107534-A1 AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS AANAT, HNMT, CHAT CYP2B6 1190/4885NPC1 217/4885HRH3 343/4885

“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.