SCHEMBL1106426

SCHEMBL1106426

CC(C)(C)N1CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.42
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
OPRM1 P35372 1/20 0.34
GRIN1 Q05586 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
MGLL Q99685 1/20 0.30

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
SCHEMBL24928097 1.00 CYP2B6 (0.42) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL627257 1.00 CYP2B6 (0.42) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL278256 1.00 CYP2B6 (0.42) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL23988087 1.00 CYP2B6 (0.42) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL24928198 1.00 CYP2B6 (0.42) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL24928774 1.00 CYP2B6 (0.42) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL24927970 1.00 CYP2B6 (0.42) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
Hydrochloric Acid SCHEMBL16197804 0.97 CYP2B6 (0.41) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL23251488 0.97 CYP2B6 (0.41) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL179261 0.96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681877-B1 PYRAZOLE DERIVATIVE COMPOUND AND USE THEREOF HANMI PHARMACEUTICAL CO LTD (KR) 2024-10-16 EP disclosed
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2024-07-18 US disclosed
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP disclosed
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20240216515-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2024-07-04 US disclosed
US-20240216290-A1 LIPID NANOPARTICLE COMPOSITIONS AND USES THEREOF RECODE THERAPEUTICS, INC. 2024-07-04 US disclosed
US-20240216290-A1 LIPID NANOPARTICLE COMPOSITIONS AND USES THEREOF RECODE THERAPEUTICS, INC. 2024-07-04 US disclosed
US-20070249615-A1 Pyridine [3,4-b] Pyrazinones PFIZER INC 2007-10-25 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold ASTRAZENECA AB (SE) 2007-09-20 US disclosed
US-7244735-B2 Heterocyclic protein kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INC. (US) 2007-07-17 US disclosed
US-7244735-B2 Heterocyclic protein kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INC. (US) 2007-07-17 US disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20050065144-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 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 (12 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 CYP2B6 666/4885GRIN2D 1051/4885GRIN3B 955/4885
US-20070249615-A1 Pyridine [3,4-b] Pyrazinones CYP2B6, CYP2D6, CYP4B1 CYP2B6 1/4885GRIN2D 1390/4885GRIN3B 532/4885
US-20050065144-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 CYP2B6 369/4885GRIN2D 2009/4885GRIN3B 1194/4885
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C CYP2B6 844/4885GRIN2D 395/4885GRIN3B 299/4885
US-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION IFNAR1, NR4A3, NR0B2 CYP2B6 2428/4885GRIN2D 569/4885GRIN3B 31/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 CYP2B6 361/4885GRIN2D 3020/4885GRIN3B 2414/4885
US-12043621-B2 Small molecule inhibitors of Interleukin-4 IL4, IL2, IL4I1 CYP2B6 3309/4885GRIN2D 4344/4885GRIN3B 3821/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 CYP2B6 3624/4885GRIN2D 779/4885GRIN3B 340/4885
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold OPRM1, OPRL1, OPRD1 CYP2B6 283/4885GRIN2D 1082/4885GRIN3B 447/4885
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold OPRL1, OPRK1, P2RX3 CYP2B6 197/4885GRIN2D 1294/4885GRIN3B 440/4885
US-20240216290-A1 LIPID NANOPARTICLE COMPOSITIONS AND USES THEREOF LIPA, NPC1L1, NPC1 CYP2B6 2870/4885GRIN2D 3850/4885GRIN3B 3861/4885
US-20240216515-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS PNLIP, LIPA, PHOSPHO1 CYP2B6 3297/4885GRIN2D 4131/4885GRIN3B 2701/4885

“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.