SCHEMBL18544404

SCHEMBL18544404

O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.54
ADRB1 P08588 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
CCR2 P41597 1/20 0.51
KCNH2 Q12809 1/20 0.51
POLB P06746 1/20 0.51
CHRM4 P08173 1/20 0.51
SYK P43405 1/20 0.51
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ABL1 P00519 1/20 0.50
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
DPP4 P27487 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
NOTUM Q6P988 1/20 0.47
TRPV1 Q8NER1 2/20 0.47
MAP4K4 O95819 1/20 0.47
ALDH1A1 P00352 1/20 0.46
EIF2AK4 Q9P2K8 1/20 0.46

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
SCHEMBL7134998 0.84 KDM4E (0.67) HRH3ADRB1FFAR4CHRM4LMNA
SCHEMBL18901634 0.81 MAPT (0.50) HRH3ADRB1FFAR4CCR2KCNH2
SCHEMBL18176129 0.80 ADRB1 (0.73) HRH3ADRB1FFAR4KDM4EMAPT
SCHEMBL18544729 0.79 MAP4K4 (0.50) HRH3CCR2CHRM4LMNAKDM4E
SCHEMBL24008459 0.78 ADRB1 (0.71) HRH3ADRB1FFAR4KDM4EMAPT
SCHEMBL15963281 0.78 AVPR1A (0.49) HRH3ADRB1FFAR4CCR2KCNH2
SCHEMBL16648680 0.78 HRH3 (0.54) HRH3ADRB1FFAR4CHRM4KDM4E
SCHEMBL27747094 0.78 ADRB1 (0.62) HRH3ADRB1FFAR4CCR2LMNA
SCHEMBL3099667 0.78 POLB (0.81) POLBLMNAMAPTSMN1; SMN2NOTUM
SCHEMBL2005045 0.77 FFAR4 (0.56) HRH3ADRB1FFAR4CCR2KCNH2

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-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2017-02-23 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-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 HRH3 154/4885ADRB1 193/4885FFAR4 211/4885

“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.