SCHEMBL7615979

SCHEMBL7615979

O=[C]N1CCNCC1C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.53
HTR3B O95264 3/20 0.53
HTR3A P46098 3/20 0.53
HTR3D Q70Z44 3/20 0.53
HTR3C Q8WXA8 3/20 0.53
KMT2A Q03164 4/20 0.45
GPR84 Q9NQS5 1/20 0.44
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.43
PBRM1 Q86U86 1/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRIN2B Q13224 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41

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
SCHEMBL7945345 0.81 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3449794 0.81 ALDH1A1 (0.45) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL3451086 0.77 SIGMAR1 (0.44) KMT2AALDH1A1CHRNB2CHRNA7CHRNA4
SCHEMBL3449404 0.74 HRH4 (0.53) ALDH1A1POLBMAPTKDM4ESMN1; SMN2
SCHEMBL29336112 0.71 CYP2D6 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3447596 0.71 SLC6A4 (0.52) KMT2AALDH1A1SMN1; SMN2
SCHEMBL29899668 0.70 ALOX5 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1144650 0.70 GFER (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3447883 0.69 KMT2A (0.46) KMT2AALDH1A1MEN1LMNA
SCHEMBL8716688 0.69 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C

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-20020168337-A1 Sustained-release preparation TAKADA CHEMICAL INDUSTRIES LTD. 2002-11-14 US disclosed
US-20020058622-A1 Sustained-release preparation IGARI YASUTAKA (JP) 2002-05-16 US disclosed
US-6376461-B1 WATER INSOLUBLE OR SLIGHTLY WATER SOLUBLE POLYVALENT METAL SALT OF A GROWTH HORMONE, AND A BIODEGRADABLE POLYMER; ENDOTHELIN ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 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-20020168337-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 HTR3E 2198/4885HTR3B 2683/4885HTR3A 1966/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 HTR3E 2198/4885HTR3B 2683/4885HTR3A 1966/4885

“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.