SCHEMBL19987482

SCHEMBL19987482

CCC(CC)c1ccc(Cl)cc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.47
PDE2A O00408 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
MDM2 Q00987 1/20 0.37
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
CXCR3 P49682 1/20 0.35
SLC6A4 P31645 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33

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
SCHEMBL19987472 0.89 KCNH2 (0.40) KCNH2PDE2ALMNATP53HTT
SCHEMBL18763947 0.84 NR1I2 (0.38) KCNH2
SCHEMBL16117013 0.82 LMNA (0.41) KCNH2PDE2ALMNATP53HTT
SCHEMBL12735695 0.82 LMNA (0.41) KCNH2PDE2ALMNATP53HTT
SCHEMBL19121860 0.82 LMNA (0.41) KCNH2PDE2ALMNATP53HTT
SCHEMBL8285924 0.81 LMNA (0.44) KCNH2LMNATP53HTTHTR2A
SCHEMBL14920728 0.81 PDE2A (0.60) KCNH2PDE2ALMNATP53HTT
SCHEMBL8037953 0.81 LMNA (0.44) KCNH2LMNATP53HTTHTR2A
SCHEMBL14168780 0.81 LMNA (0.44) KCNH2LMNATP53HTTHTR2A
SCHEMBL11715155 0.81 KCNH2 (0.38) KCNH2PDE2ALMNATP53HTT

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
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 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 (2 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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT KCNH2 4336/4885PDE2A 858/4885LMNA 4373/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT KCNH2 4336/4885PDE2A 858/4885LMNA 4373/4885

“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.