SCHEMBL7004017

SCHEMBL7004017

CN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 1.00
ALDH1A1 P00352 4/20 1.00
MAPT P10636 3/20 1.00
LMNA P02545 4/20 0.72
SLC6A3 Q01959 3/20 0.72
MEN1 O00255 1/20 0.65
MAPK1 P28482 1/20 0.65
CNR2 P34972 4/20 0.47
CNR1 P21554 1/20 0.45

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
SCHEMBL7001985 0.85 KMT2A (0.79) KMT2AALDH1A1MAPTLMNASLC6A3
SCHEMBL7003749 0.84 KMT2A (0.77) KMT2AALDH1A1MAPTLMNASLC6A3
Flazalone SCHEMBL43716 0.84 KMT2A (1.00) KMT2AALDH1A1MAPTLMNASLC6A3
SCHEMBL6998081 0.84 KMT2A (0.77) KMT2AALDH1A1MAPTLMNASLC6A3
SCHEMBL6997233 0.84 KMT2A (1.00) KMT2AALDH1A1MAPTLMNASLC6A3
SCHEMBL11746033 0.83 KMT2A (0.78) KMT2AALDH1A1MAPTLMNASLC6A3
SCHEMBL11746912 0.83 KMT2A (0.70) KMT2AALDH1A1MAPTLMNASLC6A3
SCHEMBL11745258 0.82 KMT2A (0.77) KMT2AALDH1A1MAPTLMNASLC6A3
SCHEMBL7001736 0.82 KMT2A (0.73) KMT2AALDH1A1MAPTLMNASLC6A3
SCHEMBL7001994 0.81 KMT2A (0.68) KMT2AALDH1A1MAPTLMNASLC6A3

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-20090035784-A1 NPC1L1 AND NPC1L1 INHIBITORS AND METHODS OF USE THEREOF MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2009-02-05 US disclosed
US-20090035784-A1 NPC1L1 AND NPC1L1 INHIBITORS AND METHODS OF USE THEREOF MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2009-02-05 US disclosed
EP-1242080-A4 DOPAMINE TRANSPORTER INHIBITORS AND THEIR USE UNIV GEORGETOWN (US) 2003-01-22 EP disclosed
EP-1242080-A1 DOPAMINE TRANSPORTER INHIBITORS AND THEIR USE GEORGETOWN UNIVERSITY (US) 2002-09-25 EP disclosed
WO-2001022964-A1 DOPAMINE TRANSPORTER INHIBITORS AND THEIR USE GEORGETOWN UNIVERSITY (US) 2001-04-05 WO disclosed
US-4022786-A PHARMACEUTICALS, CNS STIMULANT BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1977-05-10 US disclosed
US-4016280-A 4,4-Diarylpiperidine compositions and use BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1977-04-05 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 (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-20090035784-A1 NPC1L1 AND NPC1L1 INHIBITORS AND METHODS OF USE THEREOF NPC1L1, NPC1, SREBF2 KMT2A 2336/4885ALDH1A1 1980/4885MAPT 1822/4885

“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.