SCHEMBL12306396

SCHEMBL12306396

O=C1C(Br)CCN1[C@@H]1CCNC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.36
PARP1 P09874 1/20 0.35
HTR2C P28335 15/20 0.34
HTR2B P41595 15/20 0.34
HTR2A P28223 9/20 0.34
KDM2B Q8NHM5 1/20 0.32
TP53 P04637 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL2457242 1.00 FPR2 (0.36) FPR2PARP1HTR2CHTR2BHTR2A
SCHEMBL14918285 0.79 FPR2 (0.39) FPR2PARP1HTR2CHTR2BHTR2A
SCHEMBL7516937 0.78 MEN1 (0.37) FPR2
SCHEMBL20525292 0.73 PARP1 (0.43) FPR2PARP1HTR2CHTR2BKDM2B
SCHEMBL2993089 0.73 HSD11B1 (0.46)
SCHEMBL22481540 0.70 HSD11B1 (0.33) PARP1
SCHEMBL15114606 0.70 CHRM2 (0.39)
SCHEMBL5900855 0.69 HTR2C (0.39) PARP1HTR2CHTR2BHTR2AHTR6
SCHEMBL29199111 0.69 PARP1 (0.42) PARP1HTR2CHTR2BHTR2ATP53
SCHEMBL13950159 0.69 HTR2C (0.39) PARP1HTR2CHTR2BHTR2AHTR6

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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
WO-2010030810-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M FPR2 196/4885PARP1 806/4885HTR2C 1803/4885

“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.