SCHEMBL22242835

SCHEMBL22242835

CC(C)CCc1cc(F)c(N2CCOCC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.40
▸ PDE3B Q13370 3/20 0.39
▸ PDE3A Q14432 3/20 0.39
▸ PSMB5 P28074 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.36
▸ CYP2A13 Q16696 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ RORC P51449 2/20 0.34
▸ SHMT2 P34897 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL22242841 0.86 FFAR4 (0.38) KMT2AFFAR4MAPTTSHRTRPV1
SCHEMBL21593836 0.83 NPC1 (0.42) MAOAPDE3BPDE3AMEN1KMT2A
SCHEMBL24490258 0.81 NPC1 (0.48) MAOAPDE3BPDE3AMEN1KMT2A
SCHEMBL14614802 0.79 PDE3B (0.46) MAOAPDE3BPDE3AMEN1KMT2A
SCHEMBL20455684 0.76 PDE3B (0.41) MAOAPDE3BPDE3ACYP2A13TRPV1
SCHEMBL7473916 0.76 MAOA (0.44) MAOAPDE3BPDE3ACYP2A13TSHR
SCHEMBL4022214 0.76 NCF1 (0.46) MAOAPDE3BPDE3AKMT2ACYP2A13
SCHEMBL21593844 0.74 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1RORC
SCHEMBL28359710 0.74 GPR183 (0.39) MAOAPDE3BPDE3AMEN1KMT2A
SCHEMBL18876443 0.74 HRH3 (0.51) CYP2A13MAPT

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-20220177485-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MARINE BIOMEDICAL RESEARCH INSTITUTE OF QINGDAO CO., LTD. (CN) 2022-06-09 — — US disclosed
US-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE CANGET BIOTEKPHARMA 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 (2 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-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE TP53, BRCA1, MET MAOA 3607/4885PDE3B 4242/4885PDE3A 4119/4885
US-20220177485-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WEE1, WASF2, WEE2 MAOA 2172/4885PDE3B 370/4885PDE3A 353/4885

“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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