SCHEMBL6997012

SCHEMBL6997012

O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1C2CCC1CC(Cc1ccc(F)cc1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
FAAH O00519 3/20 0.47
ACHE P22303 3/20 0.47
BCHE P06276 2/20 0.47
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ENPP2 Q13822 1/20 0.41
CCR1 P32246 3/20 0.40

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
SCHEMBL6997076 0.86 GAA (0.42) KDM4EGAAALDH1A1KMT2AFAAH
SCHEMBL6996406 0.85 CCR1 (0.42) KMT2ACCR1TSHRMAPTLMNA
SCHEMBL6998823 0.83 CCR1 (0.46) KMT2ACCR1TSHRMEN1
SCHEMBL7000468 0.83 CCR1 (0.47) KMT2ARAB9ANPC1CCR1TSHR
SCHEMBL7000678 0.82 CCR1 (0.50) KMT2ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL6996562 0.80 POLB (0.54) ALDH1A1KMT2ASMN1; SMN2RAB9ACYP3A4
SCHEMBL7001038 0.80 MEN1 (0.45) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7002694 0.80 FAAH (0.49) KDM4EALDH1A1KMT2AFAAHACHE
SCHEMBL6993764 0.78 CCR1 (0.61) CCR1TSHR
SCHEMBL6993694 0.78 CCR1 (0.43) KMT2ASMN1; SMN2GLAHTTCCR1

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 KDM4E 411/4885GAA 4432/4885ALDH1A1 772/4885

“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.