SCHEMBL5332746

SCHEMBL5332746

CC(=O)c1cn(CCCCl)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.71
ALDH1A1 P00352 3/20 0.71
CREBBP Q92793 2/20 0.68
KMT2A Q03164 1/20 0.67
NR2F2 P24468 1/20 0.61
POLB P06746 1/20 0.59
PKM P14618 1/20 0.57
KAT2B Q92831 1/20 0.57
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
NOD2 Q9HC29 1/20 0.56
LMNA P02545 1/20 0.54
CNR1 P21554 5/20 0.53
CNR2 P34972 5/20 0.53
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GALR3 O60755 1/20 0.52

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
SCHEMBL24917115 0.84 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1CREBBPKMT2ANR2F2
SCHEMBL17176279 0.83 CREBBP (0.73) SMN1; SMN2ALDH1A1CREBBPKMT2ANR2F2
SCHEMBL27608947 0.83 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1CREBBPKMT2ACNR1
SCHEMBL28725466 0.82 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1CREBBPKMT2ANR2F2
SCHEMBL2554994 0.81 CREBBP (1.00) SMN1; SMN2ALDH1A1CREBBPKMT2ANR2F2
SCHEMBL5451343 0.80 CNR2 (0.52) SMN1; SMN2ALDH1A1KMT2APOLBLMNA
SCHEMBL5449409 0.80 CNR2 (0.56) SMN1; SMN2ALDH1A1CNR1CNR2
SCHEMBL5450086 0.80 CNR2 (0.62) SMN1; SMN2ALDH1A1CREBBPKMT2ANR2F2
SCHEMBL8837853 0.80 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1CREBBPKMT2ANR2F2
SCHEMBL13564517 0.80 NR4A2 (0.69) SMN1; SMN2ALDH1A1CREBBPKMT2ANR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO disclosed
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR SMN1; SMN2 1701/4885ALDH1A1 2963/4885CREBBP 702/4885

“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.