SCHEMBL14970096

SCHEMBL14970096

Cc1nc2ccc(OC(F)F)nc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.40
▸ ROCK2 O75116 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ACACB O00763 5/20 0.33
▸ F2RL3 Q96RI0 3/20 0.33
▸ PDE2A O00408 2/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE7A Q13946 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ PDE11A Q9HCR9 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL558785 0.80 RAB9A (0.39) PDE10AROCK2SMN1; SMN2L3MBTL1NPC1
SCHEMBL31456712 0.80 ROCK2 (0.36) PDE10AROCK2F2RL3
SCHEMBL31456645 0.80 RAB9A (0.39) PDE10AROCK2SMN1; SMN2L3MBTL1NPC1
SCHEMBL10272439 0.80 PDE10A (0.40) PDE10AROCK2ACACBNPC1RAB9A
SCHEMBL10219970 0.80 ACACB (0.36) PDE10AROCK2ACACBHCKBTK
SCHEMBL10049899 0.79 PDE10A (0.44) PDE10ASMN1; SMN2PDE2APDE5APDE4A
SCHEMBL13652939 0.75 HSD17B10 (0.42) SMN1; SMN2ACACBTDP1L3MBTL1NPC1
SCHEMBL13593759 0.73 SMN1; SMN2 (0.38) PDE10ASMN1; SMN2PDE2APDE5APDE4A
SCHEMBL12200548 0.71 MAPT (0.38) SMN1; SMN2PDE2ATDP1L3MBTL1NPC1
SCHEMBL2669105 0.71 PIK3CD (0.43) PDE10ASMN1; SMN2ACACBPDE2APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 — — US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 — — US disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 — — US disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 — — 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 (4 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-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 PDE10A 1526/4885ROCK2 3819/4885SMN1; SMN2 813/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 PDE10A 1526/4885ROCK2 3819/4885SMN1; SMN2 813/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 PDE10A 1526/4885ROCK2 3819/4885SMN1; SMN2 813/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 PDE10A 1526/4885ROCK2 3819/4885SMN1; SMN2 813/4885

“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.

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