SCHEMBL13969009

SCHEMBL13969009

O=C(c1ccnc(Cl)c1)N1CC2(CCN(C/C=C/c3ccc(C(F)(F)F)cc3F)CC2)c2cc(Cl)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
HTR1A P08908 1/20 0.35
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR1 O14842 1/20 0.31
USP2 O75604 3/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2C9 P11712 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31

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
SCHEMBL13968984 0.93 NOTUM (0.40) NOTUMHTR1AIDO1HDAC1HDAC6
SCHEMBL12459574 0.93 CYP1A1 (0.35) HTR1AHDAC1HDAC6HCRTR1HCRTR2
SCHEMBL12459580 0.92 ALDH1A1 (0.36) NOTUMHTR1AIDO1TDO2HDAC1
SCHEMBL13968935 0.91 NOTUM (0.38) NOTUMHTR1AHDAC1HDAC6CYP3A4
SCHEMBL1689614 0.90 NOTUM (0.38) NOTUMIDO1TDO2HDAC1HDAC6
SCHEMBL1689611 0.90 NOTUM (0.38) NOTUMIDO1TDO2HDAC1HDAC6
SCHEMBL12459569 0.89 NOTUM (0.39) NOTUMHDAC1HDAC6MEN1KMT2A
SCHEMBL13969006 0.88 NOTUM (0.36) NOTUMHDAC1HDAC6PROKR1
SCHEMBL12459571 0.88 NOTUM (0.37) NOTUMHTR1AIDO1HDAC1HDAC6
SCHEMBL12459698 0.88 SMN1; SMN2 (0.36) NOTUMHTR1AIDO1TDO2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150057302-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS INTERVET INC. 2015-02-26 US disclosed
US-20150057302-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS INTERVET INC. 2015-02-26 US disclosed
EP-2531506-B1 Spiroindoline compounds for use as anthelminthics INTERVET INT BV (NL) 2014-05-14 EP disclosed
US-20120295931-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS INTERVET INC. 2012-11-22 US disclosed
US-20120295931-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS INTERVET INC. 2012-11-22 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-20150057302-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS PKD2, PKD1, PIR NOTUM 1354/4885HTR1A 1128/4885IDO1 917/4885
US-20120295931-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS PKD2, PKD1, PIR NOTUM 1354/4885HTR1A 1128/4885IDO1 917/4885

“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.