SCHEMBL21138804

SCHEMBL21138804

O=C(Cl)N1CCCC(Cc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.62
TACR3 P29371 2/20 0.59
AGTR2 P50052 1/20 0.51
SPR P35270 1/20 0.50
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR2B P41595 1/20 0.49
MAPK14 Q16539 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
FAAH O00519 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
CCR3 P51677 1/20 0.46
TACR1 P25103 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL1761001 0.91 TACR3 (0.71) TACR3SPRCYP2C9CYP2C19HTR2B
SCHEMBL31324479 0.88 TACR3 (0.62) HSD11B1TACR3SPRCARM1PRMT6
SCHEMBL22048483 0.85 TACR3 (0.59) HSD11B1TACR3SPRCARM1PRMT6
SCHEMBL14263092 0.85 TACR3 (0.59) HSD11B1TACR3CARM1PRMT6CYP2C9
SCHEMBL12794066 0.82 HSD11B1 (0.56) HSD11B1TACR3AGTR2CARM1PRMT6
SCHEMBL7419173 0.81 CYP2C9 (0.65) TACR3CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL1760827 0.81 KMT2A (0.54) HSD11B1MEN1KMT2AALDH1A1KDM4E
SCHEMBL7822101 0.81 L3MBTL1 (0.60) HSD11B1TACR3CARM1PRMT6CYP2C9
SCHEMBL8237687 0.79 ACKR3 (0.57) HSD11B1TACR3KDM4E
SCHEMBL6214983 0.79 ACKR3 (0.57) HSD11B1TACR3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A HSD11B1 478/4885TACR3 1097/4885AGTR2 442/4885

“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.