SCHEMBL1624618

SCHEMBL1624618

CCOC(=O)C1CCN(c2ccc(Cl)c(-c3nc4cc(C)ccc4[nH]3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 2/20 0.48
LGMN Q99538 2/20 0.48
MAPT P10636 4/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDK2 Q15119 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL3510111 0.90 MAPT (0.54) LGMNMAPTALDH1A1TSHRPDK2
SCHEMBL1624924 0.88 PDE3B (0.46) MAPTTSHRKDM4ENPSR1
Hydrochloric Acid SCHEMBL1284381 0.87 PDE3B (0.46) MAPTTSHRKDM4ENPSR1
SCHEMBL1284168 0.86 LGMN (0.46) RAB9ALGMNMAPTMEN1KMT2A
SCHEMBL1623463 0.85 MAPT (0.51) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL1284565 0.84 NOTUM (0.54) MAPT
SCHEMBL1623359 0.84 MAPT (0.51) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL1623358 0.84 MAPT (0.51) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL1625942 0.83 MAPT (0.52) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL1283952 0.82 MAPT (0.49) RAB9ANPC1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 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-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO RAB9A 1078/4885NPC1 380/4885POLB 3273/4885

“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.