SCHEMBL1994483

SCHEMBL1994483

Cc1ccc(C#Cc2cccc3c4c([nH]c23)C2CCN(CC2)C4)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.34
MTOR P42345 6/20 0.34
HAO1 Q9UJM8 2/20 0.33
CTSK P43235 1/20 0.32
KIT P10721 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PDK2 Q15119 2/20 0.31
PDK4 Q16654 2/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
GRM5 P41594 3/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL1993611 0.86 CHRM4 (0.34) PIK3CAMTORHAO1KITGRM5
SCHEMBL1993576 0.85 CHRNB2 (0.38) PIK3CAMTORCYP2A6GRM5
SCHEMBL1997074 0.85 MTOR (0.35) PIK3CAMTORHAO1CYP1A2CYP2E1
SCHEMBL1990084 0.82 PTGES (0.34) PIK3CAMTORCTSK
SCHEMBL1993725 0.81 MTOR (0.36) PIK3CAMTORHAO1KITCYP1A2
SCHEMBL1986973 0.79 CHRNA7 (0.45) CTSKCYP1A2KDM4EALDH1A1
SCHEMBL1990026 0.79 JUN (0.37) CTSKKITPDK2PDK4
SCHEMBL1994543 0.77 HTR6 (0.33) CTSKKIT
SCHEMBL1989217 0.76 PADI4 (0.33) KDM4EALDH1A1PDK2PDK4
SCHEMBL1992376 0.76 PADI4 (0.33) KDM4EALDH1A1PDK2PDK4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516440-B1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES USEFUL TO TREAT NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS ABBVIE INC (US) 2014-07-23 EP claimed
US-8524703-B2 Bridgehead amine ring-fused indoles and indolines ABBVIE INC. (US) 2013-09-03 US claimed
US-20110152248-A1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES ABBOTT LABORATORIES (US) 2011-06-23 US claimed
EP-2516440-B1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES USEFUL TO TREAT NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS ABBVIE INC (US) 2014-07-23 EP disclosed
US-8524703-B2 Bridgehead amine ring-fused indoles and indolines ABBVIE INC. (US) 2013-09-03 US disclosed
US-20110152248-A1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES ABBOTT LABORATORIES (US) 2011-06-23 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-20110152248-A1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES IDO2, IDO1, TPH2 PIK3CA 3539/4885MTOR 1889/4885HAO1 3366/4885

“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.