SCHEMBL12128014

SCHEMBL12128014

Cc1ccc(-c2cc(C)c(C)c(C)c2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.60
CCR5 P51681 1/20 0.60
CCR8 P51685 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
CYP3A4 P08684 1/20 0.52
CYP2A6 P11509 1/20 0.52
METAP2 P50579 1/20 0.44
GRM5 P41594 2/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
GRIA2 P42262 1/20 0.40
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
P2RX7 Q99572 1/20 0.39
PIM1 P11309 2/20 0.39
PTGS2 P35354 2/20 0.39
KDM1A O60341 1/20 0.38
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
MET P08581 2/20 0.36

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
SCHEMBL13483666 0.87 CCR1 (0.71) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL15262607 0.84 CCR1 (0.56) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL18518622 0.84 CCR1 (0.56) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL15158530 0.83 CCR1 (0.65) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL16542435 0.82 CCR1 (0.58) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL30470933 0.82 CCR1 (0.58) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL23339298 0.81 CCR1 (0.62) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL17051514 0.80 CCR1 (0.75) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL23339297 0.79 CCR1 (0.60) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL2477927 0.78 CCR1 (0.71) CCR1CCR5CCR8HDAC6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331860-B1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-07-17 EP disclosed
EP-2383306-B1 META-PHENYLENE-BASED POLYMER AND LUMINESCENT ELEMENT FORMED USING SAME SUMITOMO CHEMICAL CO (JP) 2017-04-26 EP disclosed
US-9617251-B2 Indanylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-04-11 US disclosed
US-20170037040-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-09 US disclosed
US-9478744-B2 High molecular compound, method for producing same, and light-emitting element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-10-25 US disclosed
US-9478744-B2 High molecular compound, method for producing same, and light-emitting element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-10-25 US disclosed
US-9112154-B2 Metaphenylene polymer compound and light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-18 US disclosed
US-9112154-B2 Metaphenylene polymer compound and light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-18 US disclosed
EP-2647655-A1 HIGH MOLECULAR COMPOUND, METHOD FOR PRODUCING SAME, AND LIGHT-EMITTING ELEMENT Sumitomo Chemical Company Limited (JP) 2013-10-09 EP disclosed
US-20130248778-A1 HIGH MOLECULAR COMPOUND, METHOD FOR PRODUCING SAME, AND LIGHT-EMITTING ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-26 US disclosed
US-20130248778-A1 HIGH MOLECULAR COMPOUND, METHOD FOR PRODUCING SAME, AND LIGHT-EMITTING ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-26 US disclosed
US-20110272686-A1 METAPHENYLENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed
US-20110272686-A1 METAPHENYLENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 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-20170037040-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GPR119, GPR55, GPR65 CCR1 243/4885CCR5 188/4885CCR8 1132/4885
US-20110272686-A1 METAPHENYLENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME ARL1, MLLT1, CRY1 CCR1 885/4885CCR5 4540/4885CCR8 3088/4885

“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.