SCHEMBL27225403

SCHEMBL27225403

NCC1(N)CCN(c2nccn3ccnc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.37
HTR2C P28335 1/20 0.37
ACKR3 P25106 6/20 0.35
RIPK1 Q13546 1/20 0.35
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
IGLV6-57 P01721 1/20 0.33
MALT1 Q9UDY8 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
SCHEMBL15760261 0.81 ACKR3 (0.35) NUDT1ACKR3RIPK1
SCHEMBL20021215 0.75 HTR2C (0.45) NUDT1HTR2CACKR3
SCHEMBL7324694 0.70 PIK3R1 (0.55) HTR2CACKR3PIK3R1PIK3CA
SCHEMBL15760262 0.70 ACKR3 (0.39) ACKR3RIPK1IGLV6-57MALT1
Hydrochloric Acid SCHEMBL4241072 0.68 CHKA (0.50)
Hydrochloric Acid SCHEMBL11172195 0.68 HTR2C (0.61) HTR2C
SCHEMBL29893322 0.68 HTR2C (0.44) HTR2CPIK3R1PIK3CA
SCHEMBL17697115 0.68 CYP2D6 (0.48) HTR2C
SCHEMBL17206756 0.66 ACKR3 (0.46) ACKR3
SCHEMBL30753359 0.65 HTR2C (0.47) NUDT1HTR2CPIK3R1PIK3CA

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
EP-4608839-A1 SPIROCYCLE CONTAINING BICYCLIC HETEROARYL COMPOUNDS Protego Biopharma, Inc. (US) 2025-09-03 EP disclosed
US-20240174695-A1 Spirocycle Containing Bicyclic Heteroaryl Compounds PROTEGO BIOPHARMA, INC. 2024-05-30 US disclosed
WO-2024092040-A1 SPIROCYCLE CONTAINING BICYCLIC HETEROARYL COMPOUNDS PROTEGO BIOPHARMA, INC. (US) 2024-05-02 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-20240174695-A1 Spirocycle Containing Bicyclic Heteroaryl Compounds BCL6, BCL6B, BCL9 NUDT1 3941/4885HTR2C 2506/4885ACKR3 3475/4885

“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.