SCHEMBL3124208

SCHEMBL3124208

CCn1nnnc1N1CCC(CCO)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TYMP P19971 2/20 0.35
▸ PIK3CA P42336 3/20 0.34
▸ MTOR P42345 3/20 0.34
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP11B2 P19099 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ALOX15 P16050 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
SCHEMBL3524051 0.82 MAPT (0.38) ALDH1A1MAPTLMNATSHRHTT
SCHEMBL1840988 0.66 SMN1; SMN2 (0.45) SMN1; SMN2TYMP
SCHEMBL1562375 0.64 MAPT (0.43) MAPTLMNAHTTSMN1; SMN2PIK3CA
SCHEMBL5883957 0.64 HRH3 (0.44) ALDH1A1MAPTTSHRSMN1; SMN2TYMP
SCHEMBL19438238 0.63 GPR119 (0.47) MAPTPIK3CAMTORCYP11B2
SCHEMBL314584 0.61 NCF1 (0.52) TYMP
SCHEMBL14923991 0.61 HRH3 (0.53) ALDH1A1MAPTLMNATSHRHTT
SCHEMBL31550402 0.61 ALDH1A1 (0.59) ALDH1A1LMNATSHRSMN1; SMN2TYMP
SCHEMBL7334686 0.60 MAPT (0.54) MAPT
SCHEMBL14924425 0.60 GPR119 (0.47) ALDH1A1MAPTPIK3CAMTORNPSR1

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-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 — — US disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 — — US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 — — US disclosed
EP-2038041-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER Myriad Genetics, Inc. (US) 2009-03-25 — — EP disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 — — US disclosed
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 — — 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 (2 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-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 ALDH1A1 201/4885MAPT 2528/4885LMNA 2387/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 ALDH1A1 201/4885MAPT 2528/4885LMNA 2387/4885

“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.

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