SCHEMBL3091852

SCHEMBL3091852

Nc1cc(Cl)ccc1-c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
PKM P14618 1/20 0.50
GRM5 P41594 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
PPP1CA P62136 1/20 0.46
KDM4E B2RXH2 3/20 0.45
METAP1 P53582 2/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1630976 0.86 IDO1 (0.50) NPC1ALDH1A1MAPTRAB9ACCR1
SCHEMBL2322004 0.81 NPC1 (0.69) NPC1ALDH1A1MAPTRAB9ACCR1
SCHEMBL5328289 0.80 CCR1 (0.52) NPC1ALDH1A1MAPTRAB9ACCR1
SCHEMBL25299620 0.79 CCR1 (0.55) NPC1ALDH1A1MAPTRAB9ACCR1
SCHEMBL4337894 0.79 NPC1 (0.50) NPC1ALDH1A1MAPTRAB9ACCR1
SCHEMBL10330894 0.79 ALDH1A1 (0.50) NPC1ALDH1A1MAPTRAB9ACCR1
SCHEMBL7576751 0.78 CCR1 (0.53) NPC1ALDH1A1MAPTRAB9ACCR1
SCHEMBL30462862 0.77 CCR1 (0.53) NPC1ALDH1A1MAPTRAB9ACCR1
SCHEMBL27425865 0.77 MAPK10 (0.47) NPC1ALDH1A1MAPTRAB9AGRM5
SCHEMBL29450625 0.77 KDM4E (0.56) NPC1ALDH1A1MAPTRAB9ACCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 NPC1 860/4885ALDH1A1 1572/4885MAPT 4415/4885

“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.