SCHEMBL217684

SCHEMBL217684

CCC(C)(C)c1ccc(C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.33
ADRA2A P08913 3/20 0.33
ADRA2B P18089 3/20 0.33
ADRA2C P18825 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
PLAU P00749 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
METAP2 P50579 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL21789410 0.84 CCR1 (0.40) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL17828092 0.83 CCR1 (0.43) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL1480763 0.82 NOS3 (0.43) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL146646 0.80 CCR1 (0.52) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL17433153 0.79 NPC1 (0.39) MAPTRAB9A
SCHEMBL17403395 0.79 TRPV4 (0.52)
SCHEMBL6920774 0.79 CCR1 (0.39) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL24922473 0.78 CCR1 (0.50) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL20708030 0.78 CCR1 (0.41) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL17490342 0.78 CCR1 (0.41) CCR1CCR5CCR8HDAC6NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381144-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PAIN SYNVENTA LLC (US) 2023-11-30 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-20130011923-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 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 (3 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-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA CCR1 2653/4885CCR5 3251/4885CCR8 3698/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CCR1 1391/4885CCR5 2267/4885CCR8 1100/4885
US-20230381144-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PAIN TRPV1, OPRL1, ADRA2C CCR1 945/4885CCR5 601/4885CCR8 1166/4885

“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.