SCHEMBL6182099

SCHEMBL6182099

CCN(CC)C(=O)C1CCCN(C2CCN(C(=O)c3cc(-c4cccnc4)nc4ccc(Br)cc34)CC2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.59
LMNA P02545 2/20 0.57
NPSR1 Q6W5P4 5/20 0.56
USP2 O75604 2/20 0.56
TSHR P16473 2/20 0.56
HPGD P15428 1/20 0.56
ACACB O00763 1/20 0.53
ACACA Q13085 1/20 0.53
MAPT P10636 5/20 0.49
KMT2A Q03164 5/20 0.48
RXFP1 Q9HBX9 4/20 0.48
PRNP P04156 1/20 0.47
PPARG P37231 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
MEN1 O00255 4/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL6182624 0.92 CYP2C9 (0.57) CYP2C9LMNANPSR1USP2TSHR
SCHEMBL6185621 0.91 CYP2C9 (0.73) CYP2C9LMNANPSR1USP2TSHR
SCHEMBL6184046 0.84 ACACB (0.66) CYP2C9LMNANPSR1TSHRACACB
SCHEMBL6184044 0.83 CYP2C9 (0.58) CYP2C9LMNANPSR1HPGDACACB
SCHEMBL6182731 0.82 ACACB (0.56) CYP2C9LMNANPSR1HPGDACACB
SCHEMBL6182658 0.81 CYP2C9 (0.55) CYP2C9LMNANPSR1ACACBACACA
SCHEMBL6184042 0.80 ACACB (0.53) CYP2C9LMNANPSR1ACACBACACA
SCHEMBL6184040 0.79 CYP2C9 (0.72) CYP2C9LMNANPSR1USP2TSHR
SCHEMBL6183704 0.78 ACACB (0.57) CYP2C9LMNANPSR1HPGDACACB
SCHEMBL6184710 0.77 ACACB (0.66) ACACBACACA

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
US-6979741-B2 Acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2005-12-27 US disclosed
EP-1478437-B1 ACC INHIBITORS PFIZER PROD INC (US) 2005-08-31 EP disclosed
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors PFIZER INC. 2003-10-02 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-20030187254-A1 Acetyl-CoA carboxylase inhibitors ACACA, ACACB, ACAT1 CYP2C9 1250/4885LMNA 2199/4885NPSR1 3990/4885

“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.