SCHEMBL746391

SCHEMBL746391

C1=C(c2ccccn2)CCC2(C1)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
LMNA P02545 3/20 0.38
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
CYP1A2 P05177 2/20 0.38
POLB P06746 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
F12 P00748 1/20 0.35
DRD4 P21917 1/20 0.35
SUV39H2 Q9H5I1 1/20 0.34
TP53 P04637 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
TDP1 Q9NUW8 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
SCHEMBL25184675 0.81 BTK (0.33) SUV39H2BTKIKBKETBK1
SCHEMBL629632 0.79 TBK1 (0.33) SUV39H2IKBKETBK1
SCHEMBL629835 0.78 PIK3CD (0.36) SUV39H2BTKIKBKETBK1
SCHEMBL25547740 0.77 TDP1 (0.52) KDM4ECYP1A2POLBSUV39H2NPC1
SCHEMBL12208682 0.77 IKBKE (0.41) KDM4ELMNACYP1A2POLBSUV39H2
SCHEMBL20428739 0.77 CCR1 (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31173763 0.77 IKBKE (0.36) SUV39H2BTKIKBKETBK1
SCHEMBL629688 0.77 IKBKE (0.38) SUV39H2BTKIKBKETBK1
SCHEMBL25198156 0.77 HDAC4 (0.35) SUV39H2BTKIKBKETBK1
SCHEMBL16660952 0.77 IKBKE (0.34) SUV39H2BTKIKBKETBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
US-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
US-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
EP-4200295-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-06-28 EP disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 US disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 US disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 US disclosed
WO-2022040070-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-02-24 WO disclosed
US-20220056017-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-02-24 US disclosed
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
EP-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 EP disclosed
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP disclosed
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US disclosed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed
EP-0207500-B1 ISOQUINOLINE DERIVATIVES MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-11-13 EP disclosed
US-4845228-A INTERMEDIATES FOR CARDIOTONIC AGENTS MITSUI TOATSU CHEMICALS, INC. (JP) 1989-07-04 US disclosed
US-4824952-A CARDIOTONIC AGENTS MITSUI TOATSU CHEMICALS, INC. (JP) 1989-04-25 US disclosed
US-4639521-A CARDIOTONIC AGENTS MITSUI TOATSU CHEMICALS, INC. (JP) 1987-01-27 US disclosed
EP-0207500-A2 Isoquinoline derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-01-07 EP 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 (3 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-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 KDM4E 2108/4885LMNA 3503/4885CCR1 383/4885
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists HCRTR1, HCRTR2, CRHR1 KDM4E 1660/4885LMNA 4149/4885CCR1 360/4885
US-20220056017-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 KDM4E 1660/4885LMNA 4149/4885CCR1 360/4885

“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.