SCHEMBL16540596

SCHEMBL16540596

OCCCc1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.67
GPR84 Q9NQS5 2/20 0.65
HTR2A P28223 5/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
GFER P55789 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ADRB3 P13945 1/20 0.48
NR4A2 P43354 1/20 0.47
HTR2C P28335 3/20 0.46
NPC1 O15118 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
DRD2 P14416 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR2B P41595 1/20 0.43

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
SCHEMBL24452687 0.90 GPR84 (0.69) SLC6A4GPR84HTR2ATRPM8ADRB3
SCHEMBL891985 0.87 SLC6A4 (0.67) SLC6A4GPR84HTR2ATRPM8GFER
Alcohol SCHEMBL4636868 0.86 GPR84 (0.63) SLC6A4GPR84HTR2ATRPM8ADRB3
SCHEMBL5657225 0.84 SLC6A4 (0.67) SLC6A4GPR84HTR2ATRPM8GFER
SCHEMBL8807278 0.84 SLC6A4 (0.67) SLC6A4GPR84HTR2ATRPM8GFER
SCHEMBL16433301 0.83 SLC6A4 (0.65) SLC6A4GPR84HTR2ATRPM8GFER
SCHEMBL1614234 0.82 SLC6A4 (0.60) SLC6A4GPR84HTR2ATRPM8GFER
SCHEMBL5636918 0.81 HTR2A (0.67) SLC6A4GPR84HTR2ATRPM8
SCHEMBL3181757 0.80 GPR84 (0.69) SLC6A4GPR84HTR2ATRPM8GFER
SCHEMBL7716375 0.80 GPR84 (0.69) SLC6A4GPR84HTR2ATRPM8NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954193-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-03-23 US disclosed
EP-3038618-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2020-10-14 EP disclosed
US-20180258039-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2018-09-13 US disclosed
US-10005728-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2018-06-26 US disclosed
US-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2016-07-28 US disclosed
EP-3038618-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2016-07-06 EP disclosed
WO-2015031608-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-03-05 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 (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-20180258039-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2, BCL2L1 SLC6A4 4024/4885GPR84 3478/4885HTR2A 586/4885
US-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2, BCL2L1 SLC6A4 4024/4885GPR84 3478/4885HTR2A 586/4885
US-10005728-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2, BCL2L1 SLC6A4 4024/4885GPR84 3478/4885HTR2A 586/4885
US-10954193-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2, BCL2L1 SLC6A4 4024/4885GPR84 3478/4885HTR2A 586/4885

“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.