SCHEMBL18697217

SCHEMBL18697217

Cc1cnc2c(C)cc(CO)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.47
CCR5 P51681 2/20 0.47
CCR8 P51685 2/20 0.47
KDM4E B2RXH2 1/20 0.42
PSMD14 O00487 1/20 0.39
COPS5 Q92905 1/20 0.39
PARP1 P09874 1/20 0.37
CYP1A2 P05177 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CYP2A6 P11509 1/20 0.31
SHBG P04278 1/20 0.31
FYN P06241 1/20 0.31
TLR8 Q9NR97 1/20 0.30
ACHE P22303 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SLC40A1 Q9NP59 1/20 0.30

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
SCHEMBL17442510 0.83 CCR1 (0.44) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL18458869 0.83 RECQL (0.33) TLR8
SCHEMBL30692522 0.80 CCR1 (0.42) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL26926249 0.80 CCR1 (0.42) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL18370242 0.79 CCR1 (0.41) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL17442576 0.79 KLKB1 (0.41) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL18370244 0.79 PARP1 (0.46) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL23195915 0.78 CCR1 (0.60) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL21657218 0.78 CCR1 (0.43) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL19780410 0.78 PARP1 (0.58) CCR1CCR5CCR8KDM4EPARP1

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
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 US disclosed
US-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
EP-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 EP disclosed
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-10266515-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-23 US disclosed
US-10259803-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-16 US disclosed
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2018-06-21 US disclosed
WO-2018011628-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2018-01-18 WO disclosed
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-09-14 US disclosed
US-9611252-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2017-04-04 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 (7 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-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 CCR1 380/4885CCR5 1597/4885CCR8 442/4885
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 CCR1 380/4885CCR5 1597/4885CCR8 442/4885
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 CCR1 380/4885CCR5 1597/4885CCR8 442/4885
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 CCR1 380/4885CCR5 1597/4885CCR8 442/4885
US-10266515-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 CCR1 380/4885CCR5 1597/4885CCR8 442/4885
US-10259803-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 CCR1 380/4885CCR5 1597/4885CCR8 442/4885
US-11021463-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 CCR1 380/4885CCR5 1597/4885CCR8 442/4885

“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.