SCHEMBL438473

SCHEMBL438473

CC(C)CCCCN1CCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
MAPT P10636 1/20 0.45
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
LMNA P02545 1/20 0.40
GBA1 P04062 1/20 0.38
CXCR4 P61073 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LSS P48449 1/20 0.37
HRH1 P35367 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL439740 0.95 HRH3 (0.56) HRH3MAPTFPR3FPR2LMNA
SCHEMBL38662815 0.93 HRH3 (0.61) HRH3MAPTFPR3FPR2LMNA
SCHEMBL21016238 0.93 HRH3 (0.61) HRH3MAPTFPR3FPR2LMNA
SCHEMBL441058 0.93 HRH3 (0.61) HRH3MAPTFPR3FPR2MEN1
SCHEMBL441042 0.93 HRH3 (0.46) HRH3MAPTFPR3FPR2LMNA
SCHEMBL7866253 0.91 HRH3 (0.65) HRH3MAPTFPR3FPR2CXCR4
SCHEMBL6246899 0.91 HRH3 (0.65) HRH3MAPTFPR3FPR2CXCR4
Bromide SCHEMBL15941761 0.91 HRH3 (0.58) HRH3MAPTFPR3FPR2LMNA
SCHEMBL10778023 0.91 HRH3 (0.65) HRH3MAPTFPR3FPR2CXCR4
SCHEMBL1810789 0.88 HRH3 (0.46) HRH3LMNAGBA1TP53SMN1; SMN2

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2023-11-28 US disclosed
EP-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-9616099-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-04-11 US disclosed
US-9616099-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-04-11 US disclosed
US-9603895-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-03-28 US disclosed
US-9603895-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-03-28 US disclosed
US-20160136233-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARM INC (US) 2016-05-19 US disclosed
US-20160136233-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARM INC (US) 2016-05-19 US disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20100267757-A1 AMINOTHIAZOLES AND THEIR USES NOVARTIS AG (CH) 2010-10-21 US disclosed
US-20100196316-A1 CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARMACEUTICALS, INC. 2010-08-05 US disclosed
US-20100196316-A1 CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARMACEUTICALS, INC. 2010-08-05 US disclosed
US-20090186830-A1 MACROCYCLES AND THEIR USES NOVARTIS AG (CH) 2009-07-23 US disclosed
US-20090186830-A1 MACROCYCLES AND THEIR USES NOVARTIS AG (CH) 2009-07-23 US disclosed
US-20080221142-A1 useful in interfering with the life cycle of bacteria and in treating or preventing a bacterial infection NOVARTIS AG (CH) 2008-09-11 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
US-7365193-B2 Amino-substituted tricyclic derivatives and methods of use ABBOTT LABORATORIES (US) 2008-04-29 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 (9 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-20100267757-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 HRH3 3180/4885MAPT 380/4885FPR3 1083/4885
US-20080221142-A1 useful in interfering with the life cycle of bacteria and in treating or preventing a bacterial infection LPO, PCNA, BPGM HRH3 3731/4885MAPT 4316/4885FPR3 856/4885
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use TLR7, TLR9, TLR1 HRH3 355/4885MAPT 4108/4885FPR3 64/4885
US-20160136233-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, MAVS HRH3 4276/4885MAPT 4138/4885FPR3 598/4885
US-20100196316-A1 CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, PTPRC HRH3 4009/4885MAPT 3971/4885FPR3 486/4885
US-20090186830-A1 MACROCYCLES AND THEIR USES CYP11B2, OAT, CYP27A1 HRH3 3885/4885MAPT 2470/4885FPR3 1310/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP HRH3 866/4885MAPT 63/4885FPR3 2429/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 HRH3 321/4885MAPT 3318/4885FPR3 486/4885
US-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C HRH3 4238/4885MAPT 93/4885FPR3 4446/4885

“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.