SCHEMBL22261

SCHEMBL22261

Cc1c(C(=O)NCc2cccc(F)c2)c(C2CCCC2)nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.41
KMT2A Q03164 2/20 0.40
MLYCD O95822 1/20 0.40
TSHR P16473 1/20 0.40
TACR1 P25103 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
GLS O94925 1/20 0.39
PDE4B Q07343 1/20 0.38
PDE11A Q9HCR9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAOB P27338 1/20 0.38
DHODH Q02127 1/20 0.38
CALCA P06881 1/20 0.38
MEN1 O00255 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL30796283 1.00 CCR1 (0.41) CCR1KMT2AMLYCDTSHRTACR1
SCHEMBL30795932 0.96 CCR1 (0.42) CCR1KMT2AMLYCDTSHRTACR1
SCHEMBL21363 0.96 CCR1 (0.42) CCR1KMT2AMLYCDTSHRTACR1
SCHEMBL30795823 0.90 SMN1; SMN2 (0.42) CCR1KMT2ATSHRTACR1TRPV4
SCHEMBL22560 0.90 SMN1; SMN2 (0.42) CCR1KMT2ATSHRTACR1TRPV4
SCHEMBL22677 0.87 HTT (0.43) CCR1KMT2ATSHRTACR1LMNA
SCHEMBL30794603 0.87 HTT (0.43) CCR1KMT2ATSHRTACR1LMNA
SCHEMBL1722058 0.86 CCR1 (0.39) CCR1KMT2AMLYCDTSHRTACR1
SCHEMBL1721611 0.85 TRPV4 (0.40) CCR1KMT2AMLYCDTSHRTACR1
SCHEMBL20313 0.85 MLYCD (0.45) CCR1KMT2AMLYCDTACR1GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609085-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP claimed
US-8445512-B2 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-05-21 US claimed
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US claimed
WO-2012025238-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 WO claimed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
EP-2609085-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-8445512-B2 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-05-21 US disclosed
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US disclosed
WO-2012025238-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 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 (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-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 CCR1 4609/4885KMT2A 284/4885MLYCD 2958/4885

“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.