SCHEMBL1752650

SCHEMBL1752650

C1=CCN2CCCNC2=C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL161377 0.88
SCHEMBL9679137 0.64
SCHEMBL1782998 0.64 CHRNB2 (0.32) CHRNB2CHRNA4
SCHEMBL7877977 0.64
SCHEMBL26599287 0.63 CHRNB2 (0.35) CHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL6406381 0.63 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL929207 0.63 CHKA (0.31) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL11301415 0.61 CHKA (0.30) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL3904361 0.61
SCHEMBL11881988 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111201021-B Chroman monocyclic beta-lactams for the treatment of bacterial infections 默沙东有限责任公司 2024-08-23 CN disclosed
CN-118496221-A Chroman monocyclic beta-lactams for the treatment of bacterial infections 默沙东有限责任公司 2024-08-16 CN disclosed
CN-111201021-A Chroman monocyclic β -lactams for use in the treatment of bacterial infections 默沙东公司 2020-05-26 CN disclosed
EP-1937678-B1 HIV INTEGRASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2011-07-27 EP disclosed
US-7968553-B2 e.g. N-(4-fluorobenzyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide; viricide in combination with other HIV/AIDS antivirals, immunomodulators, antibiotics or vaccines; AIDS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-06-28 US disclosed
US-7968553-B2 e.g. N-(4-fluorobenzyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide; viricide in combination with other HIV/AIDS antivirals, immunomodulators, antibiotics or vaccines; AIDS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-06-28 US disclosed
US-7968553-B2 e.g. N-(4-fluorobenzyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide; viricide in combination with other HIV/AIDS antivirals, immunomodulators, antibiotics or vaccines; AIDS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-06-28 US disclosed
US-7939537-B2 HIV integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-05-10 US disclosed
EP-1578748-B1 TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2010-09-15 EP disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
US-20060046985-A1 Tetrahydro--4h-pyrido[1,2-a}pyrimidines and related compounds useful as hiv integrase inhibitors MSD ITALIA S.R.L. (IT) 2006-03-02 US disclosed
US-20060046985-A1 Tetrahydro--4h-pyrido[1,2-a}pyrimidines and related compounds useful as hiv integrase inhibitors MSD ITALIA S.R.L. (IT) 2006-03-02 US disclosed
EP-1578748-A1 TETRAHYDRO-4H-PYRIDO [1, 2-A] PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-09-28 EP disclosed
EP-1578748-A1 TETRAHYDRO-4H-PYRIDO [1, 2-A] PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-09-28 EP disclosed
WO-2004058756-A1 TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2004-07-15 WO disclosed
WO-2004058756-A1 TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2004-07-15 WO disclosed
WO-2004058757-A1 TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2004-07-15 WO disclosed
WO-2004058757-A1 TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2004-07-15 WO disclosed
US-4291036-A Pyrido[1,2-A]pyrimidine derivatives and method of analgesic treatment CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1981-09-22 US disclosed
US-4219649-A ANALGESICS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1980-08-26 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 (1 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-20060046985-A1 Tetrahydro--4h-pyrido[1,2-a}pyrimidines and related compounds useful as hiv integrase inhibitors TYMS, TYMP, HPRT1 CHRNB2 3655/4885CHRNA4 2218/4885KDM4E 919/4885

“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.