SCHEMBL22018252

SCHEMBL22018252

CCC(CCCCCCn1cc(C(C)C(C)C)nn1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.35
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GBA1 P04062 12/20 0.32
DGAT1 O75907 1/20 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
SCHEMBL19464606 0.85 SMPD1 (0.35) SMPD1HRH4HRH3GBA1DGAT1
SCHEMBL20375449 0.84 SMPD1 (0.48) SMPD1HRH4HRH3GBA1
SCHEMBL20878340 0.82 SMPD1 (0.46) SMPD1HRH4HRH3GBA1
SCHEMBL18492361 0.79 HRH4 (0.36) SMPD1HRH4HRH3DGAT1
SCHEMBL19245614 0.77 HRH4 (0.34) SMPD1HRH4HRH3GBA1
SCHEMBL22667288 0.73 IDO1 (0.36) HRH4HRH3
SCHEMBL13453642 0.73 SMPD1 (0.41) SMPD1HRH4HRH3GBA1
SCHEMBL24060950 0.73 SMPD1 (0.36) SMPD1HRH4HRH3GBA1DGAT1
SCHEMBL23265136 0.72 SMPD1 (0.48) SMPD1HRH4HRH3GBA1
SCHEMBL10080835 0.71 SMPD1 (0.50) SMPD1HRH4HRH3GBA1

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-20210106688-A1 SPIROCYCLIC DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2021-04-15 US disclosed
US-10660968-B2 Spirocyclic degronimers for target protein degradation C4 THERAPEUTICS, INC. (US) 2020-05-26 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 (2 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-20210106688-A1 SPIROCYCLIC DEGRONIMERS FOR TARGET PROTEIN DEGRADATION STUB1, UBE3C, UBE3A SMPD1 4661/4885HRH4 4475/4885HRH3 4489/4885
US-10660968-B2 Spirocyclic degronimers for target protein degradation STUB1, UBE3C, UBE3A SMPD1 4661/4885HRH4 4475/4885HRH3 4489/4885

“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.