SCHEMBL5641090

SCHEMBL5641090

CN(C)CC1(c2ccc(N3CC(CNC(=O)c4ccc5[nH]ccc5c4)CC3=O)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 1/20 0.40
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35
▸ NFATC1 O95644 1/20 0.35
▸ EPHX2 P34913 2/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ PPARG P37231 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
SCHEMBL5638279 0.85 LMNA (0.39) CCR3MAOB
SCHEMBL5638897 0.85 F10 (0.39) —
SCHEMBL5642024 0.85 LMNA (0.37) CCR3MAOB
SCHEMBL5639606 0.82 F10 (0.45) —
SCHEMBL5642131 0.81 F10 (0.46) —
SCHEMBL5639974 0.81 HTR2C (0.45) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5642353 0.80 CCR3 (0.47) CCR3PRMT5WDR77
SCHEMBL5638730 0.79 HRH4 (0.47) —
SCHEMBL5639220 0.79 ALOX15 (0.44) —
SCHEMBL5640019 0.79 F10 (0.34) SMYD3FPR2

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-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 — — US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 — — 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 CCR3 3202/4885HDAC1 108/4885HDAC2 618/4885

“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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