SCHEMBL19928652

SCHEMBL19928652

CCN1CCN(Cc2ccc(C(=O)NC(C)C)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
CHRM2 P08172 1/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC4 P56524 2/20 0.54
KCNH2 Q12809 1/20 0.54
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 4/20 0.51
CYP1A2 P05177 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL15381979 0.89 HDAC6 (0.72) POLBCHRM2HDAC1HDAC6HDAC8
SCHEMBL18811731 0.86 POLB (0.59) POLBCHRM2HDAC1HDAC6HDAC8
SCHEMBL18811733 0.86 POLB (0.59) POLBCHRM2HDAC1HDAC6HDAC8
SCHEMBL16810264 0.84 HDAC6 (0.60) POLBHDAC1HDAC6HDAC8HDAC4
SCHEMBL16809276 0.82 HDAC6 (0.58) POLBHDAC1HDAC6HDAC8HDAC4
SCHEMBL28818566 0.79 ALDH1A1 (0.61) POLBHDAC1HDAC6HDAC8HDAC4
SCHEMBL3013154 0.79 ALDH1A1 (0.61) POLBHDAC1HDAC6HDAC4KCNH2
Hydrochloric Acid SCHEMBL28833528 0.77 ALDH1A1 (0.59) POLBHDAC1HDAC6HDAC4KCNH2
SCHEMBL2776747 0.77 ALDH1A1 (0.59) POLBHDAC1HDAC6HDAC8HDAC4
SCHEMBL22080001 0.77 RAB9A (0.73) POLBRAB9ANPC1TP53LMNA

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-RE50030-E1 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-07-02 US disclosed
US-10633348-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-28 US disclosed
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-24 US disclosed
US-20180194739-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. 2018-07-12 US disclosed
US-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-07-05 US disclosed
US-9908872-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 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-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 POLB 2303/4885CHRM2 2988/4885HDAC1 788/4885
US-20180194739-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 POLB 2246/4885CHRM2 2740/4885HDAC1 821/4885
US-10633348-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 POLB 2246/4885CHRM2 2740/4885HDAC1 821/4885
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 POLB 2303/4885CHRM2 2988/4885HDAC1 788/4885

“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.