SCHEMBL6647233

SCHEMBL6647233

O=c1[nH]c(C2CCNCC2)cc2c(F)cccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.43
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 6/20 0.43
SLC6A3 Q01959 6/20 0.43
CDK9 P50750 7/20 0.42
CCNT1 O60563 6/20 0.42
TNKS O95271 3/20 0.42
TNKS2 Q9H2K2 2/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
PLG P00747 1/20 0.40
HTR2C P28335 1/20 0.39
PLAT P00750 1/20 0.38

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
SCHEMBL6648202 0.83 KDM4E (0.41) CDK9CCNT1TNKSMAPTTHRB
SCHEMBL3442265 0.83 TNKS (0.46) CDK9CCNT1TNKSTNKS2MAPT
SCHEMBL6649390 0.82 TNKS (0.45) CDK9CCNT1TNKSTNKS2
Hydrochloric Acid SCHEMBL3442524 0.82 HTR2C (0.47) CDK9CCNT1TNKSTNKS2MAPT
SCHEMBL6645471 0.80 TNKS (0.52) CDK9CCNT1TNKSTNKS2HTR2C
Hydrochloric Acid SCHEMBL3442229 0.77 KDM4E (0.46) MAPTTHRBPLGHTR2C
Bromide SCHEMBL6643622 0.77 KDM4E (0.46) MAPTTHRBPLG
SCHEMBL3443155 0.75 PARP14 (0.44) TNKSHTR2C
Hydrochloric Acid SCHEMBL3443035 0.74 PARP14 (0.43) TNKSHTR2C
SCHEMBL2212767 0.73 DAO (0.52) HTR1ASLC6A2SLC6A4SLC6A3TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US claimed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP claimed
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 HTR1A 2632/4885SLC6A2 2718/4885SLC6A4 2325/4885

“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.