SCHEMBL10071720

SCHEMBL10071720

Cc1cc(CN2CCN(C)CC2)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHKA P35790 7/20 0.56
LMNA P02545 1/20 0.53
ALDH1A1 P00352 2/20 0.51
MC4R P32245 1/20 0.51
HTT P42858 1/20 0.51
GPR183 P32249 1/20 0.51
CA2 P00918 1/20 0.47
NCF1 P14598 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
AXL P30530 2/20 0.46
TNKS O95271 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL18054024 0.87 CHKA (0.59) CHKALMNAALDH1A1MC4RHTT
SCHEMBL12891510 0.86 ALDH1A1 (0.69) CHKALMNAALDH1A1MC4RHTT
SCHEMBL24746120 0.85 ALDH1A1 (0.72) ALDH1A1HTTGPR183KDM4E
SCHEMBL14609609 0.84 LMNA (0.58) CHKALMNAALDH1A1MC4RCA2
SCHEMBL26118682 0.83 ALDH1A1 (0.51) CHKALMNAALDH1A1HTTGPR183
SCHEMBL10042372 0.83 ALDH1A1 (0.51) CHKAALDH1A1HTTGPR183KDM4E
SCHEMBL414890 0.82 KDM4E (0.68) CHKALMNAALDH1A1MC4RHTT
SCHEMBL29468844 0.82 KDM4E (0.68) CHKALMNAALDH1A1MC4RHTT
SCHEMBL17724130 0.82 HRH3 (0.54) ALDH1A1HTTGPR183NCF1KDM4E
SCHEMBL16178546 0.80 LMNA (0.62) CHKALMNAALDH1A1MC4RCA2

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-8119692-B2 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA LLC (US) 2012-02-21 US disclosed
US-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2010-11-11 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-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning ANTXR2, ABAT, BAX CHKA 3055/4885LMNA 2360/4885ALDH1A1 559/4885

“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.