SCHEMBL179314

SCHEMBL179314

COc1cnc(C(C)C)cn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APLNR P35414 11/20 0.53
SIRT6 Q8N6T7 1/20 0.42
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
NNMT P40261 2/20 0.33
CYP2A6 P11509 1/20 0.32

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
SCHEMBL31472465 1.00 APLNR (0.53) APLNRSIRT6TUBB4ATUBBTUBA3C
SCHEMBL20207483 0.83 APLNR (0.50) APLNRSIRT6TUBB4ATUBBTUBA3C
SCHEMBL19965678 0.83 APLNR (0.50) APLNRSIRT6TUBB4ATUBBTUBA3C
SCHEMBL24920783 0.83 APLNR (0.58) APLNRSIRT6TUBB4ATUBBTUBA3C
SCHEMBL15157218 0.83 APLNR (0.54) APLNRSIRT6TUBB4ATUBBTUBA3C
SCHEMBL21097069 0.80 ALDH1A1 (0.39) APLNR
SCHEMBL5950443 0.80 NOS3 (0.33) APLNR
SCHEMBL3138241 0.80 SIRT6 (0.56) APLNRSIRT6TUBB4ATUBBTUBA3C
SCHEMBL19551084 0.79 APLNR (0.47) APLNRSIRT6TUBB4ATUBBTUBA3C
SCHEMBL9885039 0.79 APLNR (0.47) APLNRSIRT6TUBB4ATUBBTUBA3C

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 188 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353272-A1 PERFUME COMPOSITIONS Givaudan SA (CH) 2018-08-01 EP claimed
US-20180187123-A1 Perfume Compositions GIVAUDAN S.A. (CH) 2018-07-05 US claimed
CN-108138081-A Spice composition 奇华顿股份有限公司 2018-06-08 CN claimed
WO-2017050971-A1 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2017-03-30 WO claimed
CN-119549075-A Perfume microcapsule for heating non-combustible cigarettes and preparation method and application thereof 山东中烟工业有限责任公司 2025-03-04 CN disclosed
WO-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 WO disclosed
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
EP-1781239-A2 COMPOSITIONS EFFECTIVE IN ALTERING THE PERCEPTION OF MALODOR Patus Ltd (IL) 2007-05-09 EP disclosed
US-20070065394-A1 Compositions effective in altering the perception of malodor PATUS LTD. (IL) 2007-03-22 US disclosed
US-7192913-B2 Enhancing the fragrance of an article UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2007-03-20 US disclosed
WO-2005046632-A9 COMPOSITIONS EFFECTIVE IN ALTERING THE PERCEPTION OF MALODOR PATUS LTD (IL) 2005-09-22 WO disclosed
US-20050176009-A1 Nucleotide sequences coding orphan receptors for identifying modulators of smell reception; enhancing odor detection; perfumes YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-08-11 US disclosed
WO-2005046632-A2 COMPOSITIONS EFFECTIVE IN ALTERING THE PERCEPTION OF MALODOR PATUS LTD. (IL) 2005-05-26 WO disclosed
WO-2004071194-A2 ENHANCING THE FRAGRANCE OF AN ARTICLE UNIVERSITY OF FLORIDA (US) 2004-08-26 WO disclosed
WO-2003091388-A2 POLYMORPHIC OLFACTORY RECEPTOR GENES AND ARRAYS, KITS AND METHODS UTILIZING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2003-11-06 WO 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 (3 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-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD APLNR 4207/4885SIRT6 3353/4885TUBB4A 2894/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB APLNR 2371/4885SIRT6 2772/4885TUBB4A 2922/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP APLNR 2190/4885SIRT6 2439/4885TUBB4A 3047/4885

“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.