SCHEMBL25443247

SCHEMBL25443247

CCC1CCN(C(=O)[C@@H](Nc2ccc(Cl)cc2)C2CCCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 4/20 0.51
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX5 P09917 1/20 0.44
▸ EPHX2 P34913 2/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MMP13 P45452 1/20 0.39

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
SCHEMBL25442292 0.88 CCR1 (0.53) CCR1TP53MAPTEPHX2CYP3A4
SCHEMBL25442294 0.88 CCR1 (0.53) CCR1TP53MAPTEPHX2CYP3A4
SCHEMBL31117778 0.84 CCR1 (0.47) CCR1TP53MAPTALOX5CYP3A4
SCHEMBL31117841 0.84 CCR1 (0.47) CCR1TP53MAPTALOX5CYP3A4
SCHEMBL25443245 0.82 CCR1 (0.43) CCR1MAPTEPHX2ALDH1A1SMN1; SMN2
SCHEMBL28503861 0.77 NPC1 (0.51) MAPTALDH1A1SMN1; SMN2NPC1EPHX1
SCHEMBL25442293 0.76 CCR1 (0.49) CCR1MAPTEPHX2ALDH1A1CTSL
SCHEMBL25442295 0.76 CCR1 (0.49) CCR1MAPTEPHX2ALDH1A1CTSL
SCHEMBL28419233 0.76 TSHR (0.49) ALDH1A1SMN1; SMN2NPC1EPHX1CYP2C9
SCHEMBL25443139 0.75 CCR1 (0.50) CCR1MAPTALDH1A1CTSLCTSK

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 CCR1 4742/4885TP53 806/4885MAPT 1086/4885

“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