SCHEMBL12459574

SCHEMBL12459574

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
HTR1A P08908 1/20 0.34
FFAR1 O14842 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 3/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
PDE4B Q07343 2/20 0.31
USP2 O75604 2/20 0.31
CYP2C9 P11712 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
RIPK3 Q9Y572 1/20 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
SCHEMBL12459581 0.93 HDAC1 (0.34) HTR1AHDAC1HDAC6CYP3A4PDE4B
SCHEMBL13969009 0.93 NOTUM (0.36) HTR1AFFAR1HDAC1HDAC6MEN1
SCHEMBL12459789 0.92 CYP1A1 (0.36) CYP1A1CYP1B1FFAR1HDAC1HDAC6
SCHEMBL13968935 0.91 NOTUM (0.38) HTR1AHDAC1HDAC6CYP3A4PDE4B
SCHEMBL12459803 0.90 SMN1; SMN2 (0.36) HTR1AFFAR1HDAC1HDAC6MEN1
SCHEMBL12459565 0.90 HDAC1 (0.33) HTR1AHDAC1HDAC6CYP3A4PDE4B
SCHEMBL12459591 0.90 PDE4B (0.32) HDAC1HDAC6PDE4BALDH1A1
SCHEMBL12459592 0.89 PDE4B (0.37) PDE4B
SCHEMBL12459580 0.89 ALDH1A1 (0.36) HTR1AFFAR1HDAC1HDAC6MEN1
SCHEMBL12459604 0.89 SMN1; SMN2 (0.34) HTR1AFFAR1HDAC1HDAC6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598412-B2 Spiroindoline compounds for use as anthelminthics INTERVET INC. (US) 2017-03-21 US disclosed
US-9598412-B2 Spiroindoline compounds for use as anthelminthics INTERVET INC. (US) 2017-03-21 US disclosed
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
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
WO-2011095581-A1 S PIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHI CS INTERVET INTERNATIONAL B.V. (NL) 2011-08-11 WO 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 CYP1A1 152/4885CYP1B1 117/4885HTR1A 1128/4885
US-20120295931-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS PKD2, PKD1, PIR CYP1A1 152/4885CYP1B1 117/4885HTR1A 1128/4885

“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.