SCHEMBL1772275

SCHEMBL1772275

CN1CCN(C(=O)c2ccc(-c3ccc(-c4ccc(C(=O)N5CCN(C)CC5)o4)cc3)o2)CC1

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.60
SCN5A Q14524 3/20 0.59
SCN2A Q99250 3/20 0.59
SCN10A Q9Y5Y9 3/20 0.59
NPC1 O15118 4/20 0.57
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.57
HPGD P15428 1/20 0.57
PDE4B Q07343 6/20 0.56
PDE4D Q08499 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL21717780 0.93 PDE4B (0.64) ERN1SCN5ASCN2ASCN10ANPC1
SCHEMBL20149733 0.92 PDE4B (0.65) ERN1NPC1RAB9AALDH1A1MAPT
SCHEMBL4307772 0.86 POLB (0.61) ERN1NPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16346225 0.83 HPGD (0.62) ERN1NPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL12601752 0.82 POLB (0.53) ERN1NPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19368310 0.82 CTSC (0.54) ERN1SCN5ASCN2ASCN10ANPC1
SCHEMBL700839 0.81 CHKA (0.60) ERN1NPC1RAB9AALDH1A1MAPT
SCHEMBL25994505 0.80 ALDH1A1 (0.67) SCN5ASCN2ASCN10ANPC1RAB9A
SCHEMBL18058255 0.79 POLB (0.60) HPGD
SCHEMBL14549589 0.79 HRH4 (0.60) ERN1NPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA' DEGLISTUDI DI MILANO- BICOCCA (IT) 2011-05-12 US claimed
US-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA' DEGLISTUDI DI MILANO- BICOCCA (IT) 2011-05-12 US disclosed
US-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA' DEGLISTUDI DI MILANO- BICOCCA (IT) 2011-05-12 US disclosed
US-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA' DEGLISTUDI DI MILANO- BICOCCA (IT) 2011-05-12 US disclosed
WO-2009121535-A2 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA`DEGLI STUDI DI MILANO - BICOCCA (IT) 2009-10-08 WO disclosed
WO-2009121535-A2 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA`DEGLI STUDI DI MILANO - BICOCCA (IT) 2009-10-08 WO disclosed
EP-2107054-A1 Antiproliferative compounds and therapeutic uses thereof Università Degli Studi Di Milano - Bicocca (IT) 2009-10-07 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 (1 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-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF ABL1, MKI67, BCR ERN1 1844/4885SCN5A 3575/4885SCN2A 3493/4885

“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.