SCHEMBL1238032

SCHEMBL1238032

N=C(N)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
NFKB1 P19838 1/20 0.41
STAT6 P42226 1/20 0.41
SLC47A1 Q96FL8 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
Hydrochloric Acid SCHEMBL1238887 0.97 LMNA (0.43) ALDH1A1CRHBPHTTCRHR2MCOLN3
Hydrochloric Acid SCHEMBL20742242 0.86
Hydrochloric Acid SCHEMBL5680301 0.74 LMNA (0.41) ALDH1A1CRHBPHTTCRHR2MCOLN3
Hydrochloric Acid SCHEMBL7110982 0.74 TSHR (0.38) ALDH1A1HTTLMNATSHRGRIN2D
Hydrochloric Acid SCHEMBL7581806 0.74 LMNA (0.38) ALDH1A1LMNATSHRSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL7109394 0.74 THRB (0.50) LMNATSHRTHRBL3MBTL1MEN1
SCHEMBL176523 0.72 ALDH1A1 (0.52) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL3085158 0.72 ALDH1A1 (0.52) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL6877661 0.72 ALDH1A1 (0.52) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL7153182 0.72 MEN1 (0.44) ALDH1A1CRHBPHTTCRHR2MCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110312719-A Imidazopyrrolopyridines as JAK Family Kinase Inhibitors 詹森药业有限公司 2019-10-08 CN claimed
US-9301950-B2 Adamantane analogs THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-04-05 US claimed
US-20120270917-A1 ADAMANTANE ANALOGS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-10-25 US claimed
WO-2011022191-A1 ADAMANTANE ANALOGS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-02-24 WO claimed
EP-2007719-A2 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME Abbott Laboratories (US) 2008-12-31 EP claimed
WO-2007118185-A2 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-10-18 WO claimed
US-11827638-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
US-20230219896-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-07-13 US disclosed
US-20230219896-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-07-13 US disclosed
US-20230202983-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-06-29 US disclosed
EP-3555096-B1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2022-11-23 EP disclosed
CN-114685505-A Imidazopyrrolopyridines as JAK family kinase inhibitors 詹森药业有限公司 2022-07-01 CN disclosed
CN-110312719-B Imidazopyrrolopyridines as JAK family kinase inhibitors 詹森药业有限公司 2022-04-15 CN disclosed
US-5552443-A TREATMENT OF PSYCHOSIS, ANXIETY AND AS HYPOTENSIVE AGENTS OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-09-03 US disclosed
EP-0720603-A1 BIS(AMIDINOBENZIMIDAZOLYL)ALKANES AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-10 EP disclosed
WO-1995008540-A1 BIS(AMIDINOBENZIMIDAZOLYL)ALKANES AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1995-03-30 WO disclosed
US-5308869-A TREATMENT OR PROPHYLAXIS OF ANXIETY IN AN ANIMAL STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION (US) 1994-05-03 US disclosed
EP-0358152-A1 Diazine-substituted 1-adamantanes, process for their preparation, and their use as medicaments Hess, Ulrich, Dr. (DE) 1990-03-14 EP disclosed
US-3906044-A Adamantylamidines and processes for making them KAO CORP 1975-09-16 US disclosed
US-3906044-A Adamantylamidines and processes for making them KAO CORP 1975-09-16 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 (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-11827638-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JAK1, JAK2, JAK3 ALDH1A1 2835/4885CRHBP 3350/4885HTT 2618/4885
US-20230219896-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS CNR1, CNR2, GPR18 ALDH1A1 3508/4885CRHBP 340/4885HTT 2703/4885
US-20230202983-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS CNR1, CNR2, GPR18 ALDH1A1 3508/4885CRHBP 340/4885HTT 2703/4885
US-20120270917-A1 ADAMANTANE ANALOGS HAVCR2, ADORA2A, ADORA1 ALDH1A1 1161/4885CRHBP 2207/4885HTT 4470/4885

“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.