SCHEMBL26403105

SCHEMBL26403105

Cc1ccc([C@@H](O)CCl)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.40
▸ CCR5 P51681 1/20 0.40
▸ CCR8 P51685 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ NOS3 P29474 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ PDE10A Q9Y233 3/20 0.36
▸ S1PR3 Q99500 3/20 0.36
▸ S1PR2 O95136 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PLAU P00749 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ APLNR P35414 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
SCHEMBL25160322 0.84 PDE10A (0.45) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL3699138 0.81 NOS3 (0.42) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL12064394 0.79 CCR1 (0.39) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL20832725 0.78 BRD4 (0.37) S1PR3S1PR2S1PR4ADRA2AADRA2B
SCHEMBL20832723 0.78 BRD4 (0.37) S1PR3S1PR2S1PR4ADRA2AADRA2B
SCHEMBL15654571 0.78 CCR1 (0.41) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL25160541 0.78 CCR1 (0.38) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL14950021 0.77 CCR1 (0.48) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL20832717 0.77 APLNR (0.45) HDAC6APLNRGRIN2BGRIN1KDM4E
SCHEMBL20185086 0.77 KDM4E (0.37) S1PR3S1PR2S1PR4ADRA2AADRA2B

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-20250206703-A1 PROCESS FOR PREPARING ((1S,2S)-2-(5-METHYLPYRIDIN-2-YL)CYCLOPROPYL)METHANOL MERCK SHARP & DOHME LLC (US) 2025-06-26 — — US disclosed
WO-2023192170-A1 PROCESS FOR PREPARING ((1S,2S)-2-(5-METHYLPYRIDIN-2-YL)CYCLOPROPYL)METHANOL MERCK SHARP & DOHME LLC (US) 2023-10-05 — — WO 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-20250206703-A1 PROCESS FOR PREPARING ((1S,2S)-2-(5-METHYLPYRIDIN-2-YL)CYCLOPROPYL)METHANOL ADH1C, ADH1A, CYP2S1 CCR1 679/4885CCR5 213/4885CCR8 590/4885

“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.

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