SCHEMBL6993764

SCHEMBL6993764

NCCNC(=O)c1cc(Cl)ccc1OCC(=O)N1C2CCC1CC(Cc1ccc(F)cc1)C2

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.61
PTGER4 P35408 1/20 0.40
TSHR P16473 1/20 0.39
FPR3 P25089 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
GPR35 Q9HC97 1/20 0.39
HTR4 Q13639 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.37
CCR3 P51677 2/20 0.36
NLRP3 Q96P20 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL7000468 0.87 CCR1 (0.47) CCR1TSHRFPR3GPR65GPR35
SCHEMBL6157931 0.87 CCR1 (0.57) CCR1PTGER4TSHRFPR3GPR65
SCHEMBL7000678 0.85 CCR1 (0.50) CCR1TSHRFPR3GPR65GPR35
SCHEMBL6998823 0.83 CCR1 (0.46) CCR1TSHRFPR3GPR65GPR35
SCHEMBL6996406 0.83 CCR1 (0.42) CCR1TSHRFPR3GPR65GPR35
SCHEMBL6993640 0.81 CCR1 (0.59) CCR1FPR3GPR65GPR35HTR4
SCHEMBL7001038 0.80 MEN1 (0.45) CCR1TSHRFPR3GPR65GPR35
SCHEMBL6761988 0.79 CCR1 (0.49) CCR1PTGER4TSHRFPR3GPR65
SCHEMBL6761986 0.79 CCR1 (0.49) CCR1PTGER4TSHRFPR3GPR65
SCHEMBL6761312 0.79 CCR1 (0.48) CCR1PTGER4TSHRCHRM1

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
EP-1326867-A2 BRIDGED PIPERAZINE DERIVATIVES Pfizer Products Inc. (US) 2003-07-16 EP disclosed
US-20020119961-A1 Bridged piperazine derivatives PFIZER INC. 2002-08-29 US disclosed
WO-2002032901-A2 BRIDGED PIPERAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-04-25 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-20020119961-A1 Bridged piperazine derivatives MYD88, IL4, ARG1 CCR1 7/4885PTGER4 1468/4885TSHR 3579/4885

“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.