SCHEMBL15434338

SCHEMBL15434338

CN1CCC2(CC1)SCC(=O)N2C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
NEK2 P51955 1/20 0.32
MAPK1 P28482 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
SCHEMBL12621769 0.86 ALDH1A1 (0.35) ALDH1A1ATMMEN1CYP2C9CYP2C19
SCHEMBL13990342 0.78 CHRM2 (0.36) ALDH1A1ATMCHRM2CHRM3NEK2
SCHEMBL4903606 0.71 CHRM2 (0.34) ALDH1A1ATMMEN1CYP2C9CYP2C19
SCHEMBL12621779 0.70 GRIN2D (0.33) CHRM2
SCHEMBL4868611 0.68 PIN1 (0.34) ALDH1A1CHRM2CHRM3NEK2MAPK1
SCHEMBL12655738 0.67
SCHEMBL4872745 0.66 PIN1 (0.48) ALDH1A1ATMMEN1KMT2AMAPK1
SCHEMBL23159662 0.66 ALDH1A1 (0.36) ALDH1A1ATMMEN1CYP2C9CYP2C19
SCHEMBL16749609 0.66 NEK2 (0.32) NEK2
SCHEMBL15381287 0.64 CHRM2 (0.34) ALDH1A1CHRM2CHRM3NEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10222368-B2 Alzheimer's disease assay in a living patient PAIN THERAPEUTICS, INC. (US) 2019-03-05 US disclosed
US-9433604-B2 Method for inhibiting growth of cancer cells PAIN THERAPEUTICS INC. (US) 2016-09-06 US disclosed
US-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC BURNS BARBIER LINDSAY (US) 2016-09-01 US disclosed
US-20150148318-A1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS PAIN THERAPEUTICS, INC. 2015-05-28 US disclosed
US-20140017698-A1 ALZHEIMER'S DISEASE ASSAY IN A LIVING PATIENT WANG HOAU-YAN (US) 2014-01-16 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 (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-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 ALDH1A1 2575/4885ATM 4684/4885MEN1 3737/4885
US-20150148318-A1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS FLNA, FLNB, FSCN1 ALDH1A1 3552/4885ATM 3137/4885MEN1 1816/4885

“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.