SCHEMBL22229882

SCHEMBL22229882

O=C1CCC(C2CCNCC2)C(=O)N1N1Cc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 2/20 0.38
▸ NAMPT P43490 2/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ HTR6 P50406 2/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ HTR2C P28335 6/20 0.33
▸ HTR2B P41595 4/20 0.32
▸ HTR2A P28223 3/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ PLAT P00750 1/20 0.31

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
SCHEMBL25433262 0.74 SRD5A1 (0.40) SRD5A1CRBNNOTUM
SCHEMBL31282147 0.74 DDB1 (0.40) CRBN
SCHEMBL29614071 0.67 MAOA (0.41) NOTUM
SCHEMBL5969633 0.67 MAOA (0.41) NOTUM
SCHEMBL5871094 0.66 SIGMAR1 (0.49) SRD5A1HTR2CHTR2BHTR2ASIGMAR1
SCHEMBL2604338 0.66 NPC1 (0.45) HTR2C
SCHEMBL16313799 0.66 NPC1 (0.45) HTR2C
Hydrochloric Acid SCHEMBL30423571 0.66 MAOA (0.39) NOTUM
SCHEMBL29245135 0.65 PARP1 (0.35) —
Hydrochloric Acid SCHEMBL6251671 0.65 SIGMAR1 (0.50) SRD5A1HTR2CSIGMAR1

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-20200231569-A1 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2020-07-23 — — 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-20200231569-A1 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF XDH, H1-0, RXFP1 SRD5A1 300/4885NAMPT 1726/4885CRBN 3941/4885

“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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