SCHEMBL31009599

SCHEMBL31009599

CC[C@@H](c1cnn(CC2CC2)c1)c1ccccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 2/20 0.39
▸ GRM2 Q14416 1/20 0.38
▸ PTGIR P43119 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PLK1 P53350 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MPO P05164 1/20 0.34
▸ JAK1 P23458 3/20 0.33
▸ TYK2 P29597 3/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ OPRM1 P35372 1/20 0.32

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
SCHEMBL31009606 1.00 CREBBP (0.39) CREBBPGRM2PTGIRALDH1A1L3MBTL1
SCHEMBL31009657 0.81 ALDH1A1 (0.39) CREBBPALDH1A1L3MBTL1MPOJAK1
SCHEMBL31009656 0.81 ALDH1A1 (0.39) CREBBPALDH1A1L3MBTL1MPOJAK1
SCHEMBL31009677 0.80 EP300 (0.37) CREBBPALDH1A1L3MBTL1
SCHEMBL30784876 0.79 KDM5A (0.40) CREBBPALDH1A1L3MBTL1JAK1TYK2
SCHEMBL31009616 0.79 KDM5A (0.40) CREBBPALDH1A1L3MBTL1JAK1TYK2
SCHEMBL31009597 0.79 KDM5A (0.40) CREBBPALDH1A1L3MBTL1JAK1TYK2
SCHEMBL31009589 0.77 IKBKE (0.36) CREBBPALDH1A1L3MBTL1JAK1JAK2
SCHEMBL31009595 0.77 ALDH1A1 (0.36) CREBBPALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL31009665 0.77 ALDH1A1 (0.36) CREBBPALDH1A1L3MBTL1NPC1RAB9A

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-20240246946-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2024-07-25 — — 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-20240246946-A1 MODULATORS OF TREX1 CFTR, SLC10A1, CYP27A1 CREBBP 112/4885GRM2 1505/4885PTGIR 801/4885

“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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