SCHEMBL20013725

SCHEMBL20013725

CCN1Cc2cc(C(F)(F)F)ccc2C(OC)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.37
▸ SLC6A4 P31645 3/20 0.36
▸ HRH3 Q9Y5N1 3/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ SRD5A1 P18405 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ UBE2M P61081 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.34
▸ DPP7 Q9UHL4 2/20 0.34
▸ CTSD P07339 1/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 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
SCHEMBL18255841 0.82 SLC6A4 (0.42) KCNH2SLC6A4HRH3SRD5A1
SCHEMBL18255001 0.82 SLC6A4 (0.38) KCNH2SLC6A4HRH3SRD5A1DRD2
SCHEMBL23938306 0.81 PNMT (0.37) KCNH2SLC6A4HRH3FFAR1SRD5A1
SCHEMBL20013730 0.81 LMNA (0.38) KCNH2SLC6A4HRH3SRD5A1DRD2
SCHEMBL20013728 0.81 LMNA (0.38) KCNH2SLC6A4HRH3SRD5A1DRD2
SCHEMBL18252819 0.79 KCNH2 (0.44) KCNH2HRH3FFAR1SRD5A1HTR2A
SCHEMBL13939996 0.75 DPP7 (0.51) KCNH2DRD2LMNADPP7TMEM97
Dimethylamine SCHEMBL11171241 0.71 SLC6A2 (0.49) KCNH2SLC6A4HRH3FFAR1HTR2A
Dimethylamine SCHEMBL10951803 0.70 SLC6A2 (0.48) KCNH2SLC6A4HRH3FFAR1HTR2A
SCHEMBL18254951 0.70 CHRNB2 (0.45) SLC6A4HTR2ACHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464934-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2019-11-05 — — US disclosed
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2018-03-29 — — 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-10464934-B2 Substituted tetrahydropyrans as CCR2 modulators CCR2, CCR1, CCR5 KCNH2 4753/4885SLC6A4 2407/4885HRH3 425/4885
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 KCNH2 4753/4885SLC6A4 2407/4885HRH3 425/4885

“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.

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