SCHEMBL3342329

SCHEMBL3342329

CCCC(=O)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ADRB1 P08588 3/20 0.50
HSD17B3 P37058 1/20 0.50
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAOB P27338 1/20 0.47
HPGD P15428 3/20 0.46
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8551200 0.87 ALDH1A1 (0.59) ALDH1A1USP2TSHRHSD17B10ADRB1
SCHEMBL10605457 0.84 RAB9A (0.61) ALDH1A1TSHRHSD17B10HSD17B3HRH2
SCHEMBL11763488 0.84 RAB9A (0.61) ALDH1A1TSHRHSD17B10HSD17B3HRH2
SCHEMBL25803069 0.83 ALDH1A1 (0.63) ALDH1A1USP2TSHRHSD17B10ADRB1
SCHEMBL11834203 0.83 ALDH1A1 (0.49) ALDH1A1USP2TSHRHSD17B10ADRB1
Hydrochloric Acid SCHEMBL10623684 0.83 RAB9A (0.60) ALDH1A1USP2TSHRHSD17B10HSD17B3
SCHEMBL13069858 0.83 HDAC3 (0.59) TSHRHSD17B10HSD17B3MEN1KMT2A
SCHEMBL1978734 0.83 GSK3B (0.67) ALDH1A1HSD17B10HSD17B3MEN1KMT2A
SCHEMBL27873720 0.82 ALDH1A1 (0.51) ALDH1A1USP2TSHRHSD17B10ADRB1
SCHEMBL5233397 0.82 ALDH1A1 (0.54) ALDH1A1USP2TSHRHSD17B10ADRB1

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
WO-2024172156-A1 COMPOUND HAVING BRASSINOSTEROID-LIKE ACTIVITY 国立大学法人東海国立大学機構 2024-08-22 WO disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 ALDH1A1 1332/4885USP2 3593/4885TSHR 336/4885

“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.