SCHEMBL6002104

SCHEMBL6002104

c1cnc2c(c1)C1(CCNCC1)CN2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 4/20 0.38
HPGD P15428 3/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
TSHR P16473 3/20 0.37
OTUD7B Q6GQQ9 1/20 0.36
USP2 O75604 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLD1 Q13393 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTR2A P28223 3/20 0.34
HTR2C P28335 2/20 0.34
SLC6A4 P31645 2/20 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
SCHEMBL31456354 0.92 HTR2A (0.37) ALDH1A1HSD17B10HPGDCYP1A2CYP3A4
SCHEMBL31212132 0.89 OTUD7B (0.40) CYP1A2CYP3A4OTUD7BCYP2C19KMT2A
SCHEMBL18181144 0.89 OTUD7B (0.40) CYP1A2CYP3A4OTUD7BCYP2C19KMT2A
SCHEMBL25275576 0.86 MAP4K1 (0.38) CYP1A2CYP3A4OTUD7BMAPK1SMN1; SMN2
SCHEMBL26167986 0.86 MAP4K1 (0.38) CYP1A2CYP3A4OTUD7BSMN1; SMN2HTR2A
SCHEMBL31456439 0.86 MAP4K1 (0.38) CYP1A2CYP3A4OTUD7BSMN1; SMN2HTR2A
SCHEMBL29386972 0.86 MAP4K1 (0.38) CYP1A2CYP3A4OTUD7BMAPK1SMN1; SMN2
SCHEMBL31456368 0.82 HTR2A (0.40) ALDH1A1HSD17B10HPGDCYP1A2CYP3A4
SCHEMBL7572479 0.80 CYP1A2 (0.33) ALDH1A1HSD17B10HPGDCYP1A2OTUD7B
SCHEMBL20066175 0.80 OTUD7B (0.40) CYP1A2CYP3A4OTUD7BCYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof GENENTECH, INC. (US) 2025-01-28 US claimed
EP-1694677-A1 SPIROPIPERIDINE DERIVATIVES FOR CONTROLLING PESTS Syngenta Participations AG (CH) 2006-08-30 EP disclosed
WO-2005061500-A1 SPIROPIPERIDINE DERIVATIVES FOR CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2005-07-07 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 (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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof HIPK1, NEK1, HIPK2 ALDH1A1 2398/4885HSD17B10 658/4885HPGD 222/4885

“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.