SCHEMBL3815951

SCHEMBL3815951

Nc1nc(N2CC[C@@H](N)C2)c2c(n1)C1(CCCCC1)CCCC2

nearest known ligand 0.93

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.93
HRH4 Q9H3N8 17/20 0.66
CCNT1 O60563 1/20 0.34
CDK9 P50750 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
SCHEMBL603461 1.00 HRH3 (0.93) HRH3HRH4CCNT1CDK9
SCHEMBL603651 0.96 HRH3 (1.00) HRH3HRH4
SCHEMBL604562 0.96 HRH3 (1.00) HRH3HRH4
SCHEMBL603650 0.96 HRH3 (1.00) HRH3HRH4
SCHEMBL12853488 0.90 HRH3 (0.88) HRH3HRH4
SCHEMBL12853486 0.88 HRH3 (0.85) HRH3HRH4
SCHEMBL605598 0.87 HRH3 (0.74) HRH3HRH4
SCHEMBL605597 0.87 HRH3 (0.74) HRH3HRH4
SCHEMBL607490 0.86 HRH3 (0.74) HRH3HRH4
SCHEMBL4057382 0.86 HRH3 (0.74) HRH3HRH4

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-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives ABBOTT LABORATORIES (US) 2009-09-17 US claimed
US-8278313-B2 Macrocyclic spiro pyrimidine derivatives ABBOTT LABORATORIES (US) 2012-10-02 US disclosed
US-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives ABBOTT LABORATORIES (US) 2009-09-17 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-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives DPYD, TYMS, TYMP HRH3 4454/4885HRH4 4235/4885CCNT1 521/4885

“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.