SCHEMBL6491297

SCHEMBL6491297

CC1CC2CCN1C[C@@H]2NC(=O)c1ncc(-c2cccc(Cl)c2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.39
ACKR3 P25106 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
VCP P55072 1/20 0.38
USP30 Q70CQ3 1/20 0.38
CNR2 P34972 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35

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
SCHEMBL6488164 0.90 FAAH (0.41) HDAC1HDAC6ACKR3USP30TUBB4A
SCHEMBL6488991 0.90 HDAC1 (0.47) HDAC1HDAC6ACKR3USP30TUBB4A
SCHEMBL6488043 0.89 ACKR3 (0.46) HDAC1HDAC6ACKR3USP30TUBB4A
SCHEMBL6489625 0.89 FAAH (0.42) HDAC1HDAC6ACKR3USP30TUBB4A
SCHEMBL6498684 0.89 HDAC1 (0.43) HDAC1HDAC6ACKR3NPC1RAB9A
SCHEMBL6491167 0.89 USP30 (0.48) HDAC1HDAC6ACKR3USP30TUBB4A
SCHEMBL6487886 0.88 HDAC1 (0.49) HDAC1HDAC6SMN1; SMN2ACKR3NPC1
SCHEMBL6486824 0.88 NQO2 (0.41) SMN1; SMN2ACKR3NPC1RAB9AUSP30
SCHEMBL7128786 0.85 HDAC1 (0.51) HDAC1HDAC6
SCHEMBL6490380 0.85 NPC1 (0.44) HDAC1HDAC6ACKR3NPC1RAB9A

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-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US claimed
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 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 (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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 HDAC1 467/4885HDAC6 1069/4885SMN1; SMN2 1751/4885

“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.