SCHEMBL8306413

SCHEMBL8306413

Cc1ccc(N2CCNCC2=O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.39
HTR3A P46098 4/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SOS1 Q07889 1/20 0.37
F10 P00742 1/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
HSD11B1 P28845 1/20 0.35
HTR7 P34969 1/20 0.35
CCR1 P32246 1/20 0.34
CCR2 P41597 1/20 0.34

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
Hydrochloric Acid SCHEMBL1662951 0.99 HTR2A (0.41) HTR1AHTR3AHTR2AHTR2CHTR2B
SCHEMBL1583742 0.86 SLC6A2 (0.45) HTR1AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL8307179 0.85 HSD17B10 (0.44) HTR1AHTR3AHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL1583930 0.85 SLC6A2 (0.44) HTR1AHTR2CHTR2BALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL2366300 0.84 HTR1A (0.45) HTR1AHTR3AHTR2AHTR2CHTR2B
SCHEMBL8306364 0.82 SLC6A2 (0.46) HTR1AHTR3AHTR2AHTR2CHTR2B
SCHEMBL22860622 0.82 SOS1 (0.38) HTR1AHTR2AHTR2CHTR2BALDH1A1
Hydrochloric Acid SCHEMBL1583979 0.81 HTR3E (0.45) HTR1AHTR3AHTR2AHTR2CHTR2B
SCHEMBL3661183 0.81 P2RX7 (0.45) HTR3ASOS1SLC6A2SLC6A4SLC6A3
SCHEMBL8305608 0.80 SCN9A (0.42) ALDH1A1HSD17B10CCR1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD HTR1A 3775/4885HTR3A 4137/4885HTR2A 4507/4885

“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.