SCHEMBL3595534

SCHEMBL3595534

O=C1OC[C@]2(COCc3ccccc3)CCCN12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.37
NAAA Q02083 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36
CTSF Q9UBX1 1/20 0.36
TSHR P16473 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
LTA4H P09960 1/20 0.35
LMNA P02545 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
SCHEMBL19629072 0.69 TACR1 (0.37) TACR1MEN1KMT2ANPSR1MMP2
SCHEMBL28772875 0.68 ALDH1A1 (0.43) TACR1MEN1KMT2AMMP2MMP3
SCHEMBL24175978 0.67 KRAS (0.38) TACR1
SCHEMBL2870036 0.66 SIGMAR1 (0.36) NAAAKMT2AFAAHTSHRSIGMAR1
SCHEMBL20512123 0.64 TACR1 (0.40) TACR1MEN1KMT2ANPSR1MMP2
SCHEMBL20049050 0.64 TSHR (0.54) TACR1TSHR
SCHEMBL10371092 0.64 TSHR (0.54) TACR1MMP2MMP3MMP9TSHR
SCHEMBL5423335 0.64 TSHR (0.48) TACR1MEN1KMT2ANPSR1MMP2
SCHEMBL3215177 0.64 TSHR (0.48) TACR1CTSLCTSBCTSKTSHR
SCHEMBL20625170 0.63 TACR1 (0.44) TACR1MEN1KMT2AMMP2MMP3

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-8232390-B2 Pentacyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-07-31 US disclosed
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 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-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 TACR1 494/4885NAAA 2498/4885MEN1 3724/4885

“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.