SCHEMBL12404704

SCHEMBL12404704

CC(C)c1cc(Cl)cc2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 4/20 0.46
▸ CCR8 P51685 4/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ SLC40A1 Q9NP59 2/20 0.43
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ CCR5 P51681 2/20 0.41
▸ PSMD14 O00487 2/20 0.41
▸ COPS5 Q92905 2/20 0.41
▸ HSP90AA1 P07900 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ GMNN O75496 1/20 0.41

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
SCHEMBL12789731 0.81 TDP1 (0.53) CCR1CCR8L3MBTL1ALDH1A1SLC40A1
SCHEMBL13193187 0.81 PSMD14 (0.59) CCR1CCR8L3MBTL1ALDH1A1SLC40A1
SCHEMBL12179297 0.81 CCR1 (0.43) CCR1CCR8L3MBTL1ALDH1A1SLC40A1
SCHEMBL20314847 0.79 HSP90AA1 (0.50) CCR1CCR8L3MBTL1ALDH1A1CCR5
SCHEMBL20392553 0.79 CCR1 (0.42) CCR1CCR8L3MBTL1ALDH1A1SLC40A1
SCHEMBL23434906 0.79 CCR1 (0.42) CCR1CCR8L3MBTL1ALDH1A1SLC40A1
SCHEMBL7450182 0.77 CCR1 (0.55) CCR1CCR8L3MBTL1ALDH1A1SLC40A1
SCHEMBL24420727 0.76 LMNA (0.47) CCR1CCR8ALDH1A1SLC40A1GABRA1
SCHEMBL2606635 0.76 SLC40A1 (0.47) CCR1CCR8L3MBTL1ALDH1A1SLC40A1
SCHEMBL10880120 0.76 CCR1 (0.46) CCR1CCR8L3MBTL1ALDH1A1SLC40A1

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-20220185800-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2022-06-16 — — US disclosed
US-20220144818-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2022-05-12 — — US disclosed
WO-2020198266-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-10-01 — — WO disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 — — US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 — — US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — 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-20220185800-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP CCR1 683/4885CCR8 1181/4885L3MBTL1 3319/4885
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 CCR1 1956/4885CCR8 2444/4885L3MBTL1 3011/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CCR1 1956/4885CCR8 2444/4885L3MBTL1 3011/4885
US-20220144818-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS3BP, LGALS1 CCR1 902/4885CCR8 1212/4885L3MBTL1 3231/4885

“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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