SCHEMBL19622374

SCHEMBL19622374

CCC(C)CN1CCC(O)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.38
RAB9A P51151 1/20 0.38
DPP4 P27487 2/20 0.37
SLC18A3 Q16572 1/20 0.37
KCNA3 P22001 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
MAPT P10636 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34

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
SCHEMBL21779809 0.88 DPP4 (0.41) CYP2D6DPP4KCNA3KDM4E
SCHEMBL8326704 0.81 SIGMAR1 (0.47) MEN1ALDH1A1KMT2AHRH3SIGMAR1
SCHEMBL5039025 0.80 PIK3CD (0.47) ALDH1A1CYP2D6KCNA3SPHK1HRH3
SCHEMBL4508583 0.80 PIK3CD (0.47) ALDH1A1CYP2D6KCNA3SPHK1HRH3
SCHEMBL25971506 0.80 KCNA3 (0.49) SHBGMEN1ALDH1A1KMT2ACYP2D6
SCHEMBL22294085 0.80 SPHK1 (0.44) MEN1ALDH1A1KMT2ACYP2D6RAB9A
SCHEMBL11570592 0.79
SCHEMBL20801740 0.79 GRIN2D (0.37) MEN1KMT2ACYP2D6SLC18A3GRIN2D
SCHEMBL8276581 0.79 SLC18A3 (0.56) SHBGMEN1KMT2ASLC18A3KCNA3
SCHEMBL8326701 0.79 SIGMAR1 (0.33) MEN1KMT2ASLC18A3GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234953-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-24 US disclosed
US-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-07-05 US disclosed
EP-2906552-B1 GUANIDINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-22 EP 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-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 SHBG 2493/4885MEN1 1914/4885ALDH1A1 4199/4885
US-20230234953-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 SHBG 4694/4885MEN1 4055/4885ALDH1A1 2776/4885
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 SHBG 2493/4885MEN1 1914/4885ALDH1A1 4199/4885

“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.