SCHEMBL643358

SCHEMBL643358

c1ccc(CN2CC3CC2CN3)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
P2RX7 Q99572 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
MAPT P10636 1/20 0.44
CHRM3 P20309 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL18110705 1.00 LTA4H (0.57) LTA4HP2RX7CHRNB2CHRNA4MAPT
SCHEMBL2822843 1.00 LTA4H (0.57) LTA4HP2RX7CHRNB2CHRNA4MAPT
SCHEMBL1367956 1.00 LTA4H (0.57) LTA4HP2RX7CHRNB2CHRNA4MAPT
Iodide SCHEMBL8989630 0.98 LTA4H (0.56) LTA4HP2RX7CHRNB2CHRNA4MAPT
Hydrochloric Acid SCHEMBL1367998 0.98 LTA4H (0.56) LTA4HP2RX7CHRNB2CHRNA4MAPT
Bromide SCHEMBL5857053 0.98 LTA4H (0.56) LTA4HP2RX7CHRNB2CHRNA4MAPT
Bromide SCHEMBL939381 0.98 LTA4H (0.56) LTA4HP2RX7CHRNB2CHRNA4MAPT
Bromide SCHEMBL1363188 0.98 LTA4H (0.56) LTA4HP2RX7CHRNB2CHRNA4MAPT
Hydrochloric Acid SCHEMBL18111693 0.98 LTA4H (0.56) LTA4HP2RX7CHRNB2CHRNA4MAPT
SCHEMBL17472381 0.87 CHRM3 (0.55) LTA4HP2RX7CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025100889-A1 QUINAZOLINE DERIVATIVE, SALT THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2025-05-15 WO disclosed
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 US disclosed
US-9895330-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-20 US disclosed
US-9895330-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-20 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
WO-2017011776-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2017-01-19 WO disclosed
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 US disclosed
EP-0823906-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-02-18 EP disclosed
WO-1996034864-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-11-07 WO disclosed
EP-0690713-A1 SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1996-01-10 EP disclosed
WO-1994021254-A1 SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 WO disclosed
CN-1025852-C Preparation of dizazbicyclic intermediates PFIZER (US) 1994-09-07 CN disclosed
EP-0397351-B1 Preparation of diazabicyclic intermediates PFIZER (US) 1994-07-20 EP disclosed
US-5045549-A Bactericides CHEMIE LINZ GESELLSCHAFT M.B.H. (AT) 1991-09-03 US disclosed
EP-0400661-A1 Agents for treatment of brain ischemia Bristol-Myers Squibb Company (US) 1990-12-05 EP disclosed
CN-1047295-A The preparation of diazabicyclo intermediate PFIZER (US) 1990-11-28 CN disclosed
EP-0324543-A2 Antiarrhythmic agents Pfizer Limited (GB) 1989-07-19 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 (4 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-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 LTA4H 2545/4885P2RX7 4779/4885CHRNB2 127/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 LTA4H 659/4885P2RX7 4304/4885CHRNB2 1822/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 LTA4H 1994/4885P2RX7 247/4885CHRNB2 2141/4885
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT LTA4H 1269/4885P2RX7 3476/4885CHRNB2 1810/4885

“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.