SCHEMBL4126037

SCHEMBL4126037

Cc1nc2cnccc2n1C1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 4/20 0.60
CYP2D6 P10635 1/20 0.55
CCR5 P51681 1/20 0.55
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
CYP11B2 P19099 5/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP11B1 P15538 3/20 0.39

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
SCHEMBL3591644 0.89 JAK2 (0.49) RPS6KA5CYP2D6CCR5JAK2JAK1
SCHEMBL7587030 0.81 CCR5 (0.54) CYP2D6CCR5JAK2JAK1CYP11B2
Hydrochloric Acid SCHEMBL4379304 0.79 CCR5 (0.53) CYP2D6CCR5JAK2JAK1CYP11B2
SCHEMBL13141123 0.79 CCR5 (0.57) RPS6KA5CYP2D6CCR5CYP11B2KDM4E
SCHEMBL4138903 0.78 CCR5 (0.58) RPS6KA5CYP2D6CCR5KDM4EALDH1A1
SCHEMBL6150130 0.77 RPS6KA5 (0.43) RPS6KA5CYP2D6CCR5
Hydrochloric Acid SCHEMBL31587373 0.75 CCR3 (0.62) JAK2JAK1CYP11B2KDM4EALDH1A1
SCHEMBL13743001 0.75 CCR5 (0.50) CYP2D6CCR5
SCHEMBL3090117 0.74 JAK2 (0.49) RPS6KA5JAK2JAK1CYP11B2KDM4E
SCHEMBL3064217 0.74 CCR5 (0.47) RPS6KA5CYP2D6CCR5CYP11B2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
WO-2007066201-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2007-06-14 WO disclosed
EP-0738269-B1 PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY URIACH & CIA SA J (ES) 2000-04-26 EP disclosed
US-5705504-A PLATELET ACTIVATING FACTOR J. URIACH & CIA, S.A. (ES) 1998-01-06 US disclosed
EP-0738269-A1 NOVEL PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY J. URIACH & CIA. S.A. (ES) 1996-10-23 EP disclosed
WO-1996014317-A1 NOVEL PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY J. URIACH & CIA. S.A. (ES) 1996-05-17 WO 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-20090209578-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CXCR1 RPS6KA5 2680/4885CYP2D6 434/4885CCR5 1/4885

“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.