SCHEMBL14472575

SCHEMBL14472575

CC(C)N1CCC(C(=O)N2CCN(C)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
HRH3 Q9Y5N1 3/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
PPP5C P53041 2/20 0.40
PPP2CA P67775 1/20 0.40
TFPI2 P48307 1/20 0.40
NPY4R P50391 1/20 0.40
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL13808561 0.90 HTT (0.59) HTTHRH3LMNAPOLBALDH1A1
SCHEMBL14453911 0.90 HRH3 (0.60) HRH3ALDH1A1TSHR
SCHEMBL18704924 0.86 HPGD (0.52) HTTHRH3LMNAALDH1A1TSHR
SCHEMBL26170519 0.85 HRH3 (0.49) HTTHRH3LMNAALDH1A1TSHR
SCHEMBL14472444 0.83 HRH3 (0.57) HTTHRH3LMNAALDH1A1TSHR
SCHEMBL14471383 0.83 HRH3 (0.60) HTTHRH3LMNAALDH1A1TSHR
SCHEMBL26170628 0.83 HSD11B1 (0.58) HRH3POLBALDH1A1KMT2A
SCHEMBL26170503 0.82 HRH3 (0.49) HRH3ALDH1A1TSHRKMT2A
SCHEMBL25872062 0.82 CHRNB2 (0.58) HRH3ALDH1A1TSHRKMT2A
SCHEMBL26173080 0.81 PIK3CD (0.50) HRH3LMNAALDH1A1TSHRKMT2A

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
WO-2023088477-A1 MULTIFUNCTIONAL COMPOUND CAPABLE OF DEGRADING BTK KINASE, AND COMPOSITION AND USE 杭州和正医药有限公司 2023-05-25 WO disclosed
US-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF THESEUS PHARMACEUTICALS, INC. 2023-05-11 US disclosed
US-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF THESEUS PHARMACEUTICALS, INC. 2023-05-11 US disclosed
US-7238694-B2 Rifamycin imino derivatives effective against drug-resistant microbes CUMBRE PHARMACEUTICALS, INC. (US) 2007-07-03 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-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF EGFR, ERBB2, ERBB3 HTT 4270/4885HRH3 4374/4885LMNA 3180/4885

“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.