SCHEMBL2443979

SCHEMBL2443979

Cc1ccc(-c2[c]nn(C)c2)nc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.50
CCR5 P51681 1/20 0.50
CCR8 P51685 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
METAP2 P50579 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PTGS2 P35354 2/20 0.32
GRM5 P41594 2/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL2445894 0.80 GRM5 (0.36) CYP3A4GRM5CYP11B1
SCHEMBL8519877 0.74 ALDH1A1 (0.37)
Abametapir SCHEMBL351152 0.70 CCR1 (1.00) CCR1CCR5CCR8HDAC6METAP2
Abametapir SCHEMBL29374261 0.70 CCR1 (1.00) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL23999759 0.68 CCR1 (0.59) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL20031135 0.68 CCR1 (0.54) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL12858928 0.68 CYP11B1 (0.57) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL42126 0.67 CCR1 (0.64) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL28852322 0.67 CCR1 (0.52) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL16561248 0.67 CCR1 (0.52) CCR1CCR5CCR8HDAC6METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES PFIZER INC. 2011-09-22 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 (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-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES GIPR, GLP1R, GHSR CCR1 1066/4885CCR5 814/4885CCR8 1738/4885

“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.