SCHEMBL18866868

SCHEMBL18866868

CCCOCCC(=O)NCCC(=O)N1Cc2ccccc2-c2nnn(CCOCCC(C)C)c2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CMKLR1 Q99788 2/20 0.43
▸ NAMPT P43490 2/20 0.36
▸ HSPA5 P11021 1/20 0.34
▸ HSPA9 P38646 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MTNR1A P48039 3/20 0.33
▸ MTNR1B P49286 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ HTR7 P34969 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 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
SCHEMBL18855045 0.97 CMKLR1 (0.43) CMKLR1NAMPTHSPA5HSPA9LMNA
SCHEMBL18866890 0.93 CMKLR1 (0.41) CMKLR1NAMPTHSPA5HSPA9LMNA
SCHEMBL18866884 0.93 CMKLR1 (0.39) CMKLR1NAMPTHSPA5HSPA9LMNA
SCHEMBL16803939 0.88 CMKLR1 (0.47) CMKLR1NAMPTLMNAMTNR1AMTNR1B
SCHEMBL18232117 0.85 CMKLR1 (0.45) CMKLR1NAMPTHSPA5HSPA9LMNA
SCHEMBL26731076 0.85 CMKLR1 (0.39) CMKLR1HSPA5HSPA9LMNAMTNR1A
SCHEMBL18710659 0.84 CMKLR1 (0.39) CMKLR1NAMPTLMNAMTNR1AMTNR1B
SCHEMBL26346652 0.84 CMKLR1 (0.43) CMKLR1HSPA5HSPA9LMNAMTNR1A
SCHEMBL19347188 0.83 CMKLR1 (0.39) CMKLR1HSPA5HSPA9MTNR1AMTNR1B
SCHEMBL26751803 0.82 CMKLR1 (0.41) CMKLR1NAMPTLMNAMTNR1AMTNR1B

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-20170137539-A1 CHEMICALLY-LOCKED BISPECIFIC ANTIBODIES SORRENTO THERAPEUTICS, INC. 2017-05-18 — — 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-20170137539-A1 CHEMICALLY-LOCKED BISPECIFIC ANTIBODIES CD274, CD47, CD22 CMKLR1 278/4885NAMPT 1641/4885HSPA5 4479/4885

“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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