SCHEMBL20173597

SCHEMBL20173597

CN1C(=O)c2cc(F)ccc2C12CCCC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.40
HDAC4 P56524 2/20 0.38
ACHE P22303 1/20 0.37
SRD5A1 P18405 2/20 0.36
PARK7 Q99497 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
LRRK2 Q5S007 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL18863191 0.81 HDAC4 (0.35) AKR1B1HDAC4ACHESRD5A1PARK7
SCHEMBL30620824 0.77 HRH3 (0.52) HRH3
SCHEMBL17254689 0.77 PARK7 (0.39) AKR1B1ACHESRD5A1PARK7CA1
SCHEMBL20672175 0.76 METAP1 (0.38) AKR1B1ACHEHRH3CA1CA2
SCHEMBL22898412 0.74 NR1H2 (0.40) HRH3DDB1CRBN
SCHEMBL20078907 0.74 EGFR (0.40) HRH3CA1CA2CA7CA9
SCHEMBL30564277 0.73 HRH3 (0.52) HRH3
SCHEMBL25453061 0.73 KDM4E (0.37) AKR1B1SRD5A1HRH3CA1CA2
SCHEMBL29813861 0.72 MEN1 (0.39) AKR1B1SRD5A1HRH3CA1CA2
SCHEMBL25457843 0.70 HRH3 (0.36) AKR1B1SRD5A1HRH3CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336736-B2 Modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2019-07-02 US disclosed
US-20180141934-A1 MODULATORS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2018-05-24 US disclosed
US-20180141934-A1 MODULATORS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2018-05-24 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-10336736-B2 Modulators of chemokine receptors CCR5, CXCR3, CCR2 AKR1B1 2186/4885HDAC4 2302/4885ACHE 4820/4885
US-20180141934-A1 MODULATORS OF CHEMOKINE RECEPTORS CCR5, CXCR3, CCR2 AKR1B1 2186/4885HDAC4 2302/4885ACHE 4820/4885

“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.