SCHEMBL25442301

SCHEMBL25442301

C=C([C@H](CC(C)C)Nc1ccccc1)N1CCC(C(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.40
▸ CCKBR P32239 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CAPN1 P07384 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ NPY2R P49146 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL25442300 0.88 CCR1 (0.41) CCR1ALDH1A1GAAPSMB5EPHX2
SCHEMBL25442302 0.88 CCR1 (0.41) CCR1ALDH1A1GAAPSMB5EPHX2
SCHEMBL23903537 0.85 CCR1 (0.50) CASP3CCKBRCCR1ALDH1A1MAPK1
SCHEMBL23903522 0.73 CCR1 (0.53) CCR1ALDH1A1GAAEPHX2TRPV1
SCHEMBL23903518 0.73 CCR1 (0.53) CCR1ALDH1A1GAAEPHX2TRPV1
SCHEMBL22875089 0.70 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15TSHRALOX12
SCHEMBL26606126 0.69 ACHE (0.42) ALDH1A1NPY2RLMNAACHEKMT2A
SCHEMBL8252174 0.69 ALDH1A1 (0.63) ALDH1A1TSHRPOLBLMNATDP1
SCHEMBL25442293 0.68 CCR1 (0.49) CCR1ALDH1A1TSHREPHX2LMNA
SCHEMBL25442295 0.68 CCR1 (0.49) CCR1ALDH1A1TSHREPHX2LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS UNIV CALIFORNIA (US) 2023-05-11 — — 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-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS HSPBP1, HSPA8, HSPH1 CASP3 4630/4885CCKBR 4815/4885CCR1 4742/4885

“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.

Send feedback