SCHEMBL18858484

SCHEMBL18858484

Cc1ccc2c(Cl)c(C(C)(C)C)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.53
BCL2L1 Q07817 1/20 0.53
RAB9A P51151 9/20 0.46
NPC1 O15118 8/20 0.46
MAPT P10636 8/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 8/20 0.42
NPSR1 Q6W5P4 3/20 0.40
PPARG P37231 2/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
PKM P14618 2/20 0.39
RXFP1 Q9HBX9 3/20 0.37
HPGD P15428 2/20 0.36
F10 P00742 1/20 0.36
OPRM1 P35372 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL17342251 0.84 MCL1 (0.49) MCL1BCL2L1RAB9ANPC1MAPT
SCHEMBL22857663 0.81 BCL2L1 (0.40) MCL1BCL2L1RAB9ANPC1MAPT
SCHEMBL10253780 0.81 BCKDK (0.51) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL16231297 0.78 PRNP (0.56) RAB9ANPC1MAPTLMNAGAA
SCHEMBL18869229 0.77 MCL1 (0.59) MCL1BCL2L1RAB9ANPC1MAPT
SCHEMBL10253186 0.76 LOXL2 (0.48) MCL1RAB9ANPC1MAPTLMNA
SCHEMBL16231296 0.74 ALDH1A1 (0.55) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL16231302 0.71 BCKDK (0.38) RAB9ANPC1LMNAKDM4EBCKDK
SCHEMBL812518 0.71 BCL2L1 (0.50) MCL1BCL2L1RAB9ANPC1MAPT
SCHEMBL22857666 0.70 IDO1 (0.35) MCL1BCL2L1RAB9AMAPTNPSR1

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-9708323-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-9708323-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-18 US disclosed
US-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-18 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-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA6, CHRNA5 MCL1 4410/4885BCL2L1 4360/4885RAB9A 1218/4885

“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.