SCHEMBL22801997

SCHEMBL22801997

CN1CCC(n2ccc3ccc(Br)nc32)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 11/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ AURKA O14965 2/20 0.34
▸ CDK4 P11802 2/20 0.34
▸ INSR P06213 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ NTRK2 Q16620 1/20 0.34
▸ HTR1A P08908 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ HTR1F P30939 1/20 0.32
▸ NOS3 P29474 3/20 0.31

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
SCHEMBL21285459 0.80 HTR6 (0.33) HTR6DRD2SLC6A4AURKACDK4
SCHEMBL22802002 0.79 KDM5A (0.34) AURKASRC
SCHEMBL22802031 0.79 KDM5A (0.34) AURKASRC
SCHEMBL31324653 0.79 AURKA (0.38) DRD2SLC6A4AURKACDK4INSR
SCHEMBL22822703 0.79 AURKA (0.36) DRD2SLC6A4AURKACDK4INSR
SCHEMBL22822745 0.75 SRC (0.46) SRC
SCHEMBL21281473 0.75 SRC (0.46) SRC
SCHEMBL20612465 0.74 HTR1A (0.44) HTR6DRD2SLC6A4HTR1AHTR1D
SCHEMBL21810407 0.74 DGAT1 (0.33) AURKACDK4
SCHEMBL29547910 0.74 DGAT1 (0.33) AURKACDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 HTR6 730/4885DRD2 4651/4885SLC6A4 4544/4885

“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.

Send feedback