SCHEMBL6986212

SCHEMBL6986212

O=C(c1cccc2cccnc12)N1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
KDM4E B2RXH2 2/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
PARP1 P09874 1/20 0.55
HPGD P15428 2/20 0.54
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HCRTR1 O43613 1/20 0.53
HCRTR2 O43614 1/20 0.53
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 0.49
CCR3 P51677 1/20 0.49
CYP2C9 P11712 1/20 0.48

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
SCHEMBL6984881 0.85 GRM4 (0.54) MAPTTP53KDM4EGAAPARP1
SCHEMBL2143797 0.84 ALDH1A1 (0.60) MAPTLMNATP53KDM4EPOLB
SCHEMBL2143947 0.82 ALDH1A1 (0.61) MAPTLMNATP53KDM4EPOLB
SCHEMBL4159437 0.81 PARP1 (0.54) MAPTLMNAKDM4EPARP1HPGD
SCHEMBL13826105 0.81 CHRM2 (0.54) GAAPARP1HCRTR1HCRTR2HTR2A
SCHEMBL23775498 0.80 HTR2A (0.51) LMNAKDM4EPARP1HPGDALDH1A1
SCHEMBL16003034 0.80 HTR2A (0.53) KDM4EGAAPARP1HCRTR1HCRTR2
SCHEMBL20820350 0.80 PROKR1 (0.53) MAPTLMNATP53HPGDALDH1A1
SCHEMBL11204339 0.80 HTT (0.50) MAPTLMNAKDM4EPOLBGAA
SCHEMBL30011672 0.79 POLB (0.50) MAPTLMNAKDM4EPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043439-A1 COMPOUNDS AS C5AR INHIBITORS KIRA PHARMACEUTICALS (SUZHOU) LTD. (CN) 2024-02-08 US disclosed
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 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-20240043439-A1 COMPOUNDS AS C5AR INHIBITORS C5AR1, C5AR2, C3AR1 MAPT 4518/4885LMNA 2579/4885TP53 3515/4885

“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.