SCHEMBL584720

SCHEMBL584720

O=C1C2CNCC2C(=O)N1Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
F2 P00734 1/20 0.53
PLG P00747 1/20 0.53
ELANE P08246 1/20 0.53
CTSG P08311 1/20 0.53
CMA1 P23946 1/20 0.53
CTRC Q99895 1/20 0.53
GSK3A P49840 2/20 0.51
GSK3B P49841 2/20 0.51
EP300 Q09472 2/20 0.50
MAPK1 P28482 2/20 0.50
ACHE P22303 1/20 0.50
MGLL Q99685 1/20 0.50
CYP2C9 P11712 1/20 0.49
MT-CO2 P00403 1/20 0.49
ALOX5 P09917 1/20 0.49

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
SCHEMBL5770320 1.00 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL1749140 0.98 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL1749922 0.98 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL651980 0.89 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL13783795 0.85 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL1023519 0.85 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL12372537 0.85 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL8572187 0.82 MT-CO2 (0.54) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL8383162 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL6747735 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112625766-A Gasoline additive and preparation method thereof 泗县唯澳生物技术开发有限公司 2021-04-09 CN disclosed
US-9580434-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes ATTENUA, INC. (US) 2017-02-28 US disclosed
US-20160039833-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CATALYST BIOSCIENCES, INC. 2016-02-11 US disclosed
US-20150080576-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT INC (US) 2015-03-19 US disclosed
US-8921410-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2014-12-30 US disclosed
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed
US-8859609-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2014-10-14 US disclosed
US-20130005789-A1 Nicotinic Acetylcholine Receptor Sub-Type Selective Amides of Diazabicycloalkanes TARGACEPT, INC. (US) 2013-01-03 US disclosed
US-20120289572-A1 Nicotinic Acetylcholine Receptor Sub-Type Selective Amides of Diazabicycloalkanes TARGACEPT, INC. (US) 2012-11-15 US disclosed
US-8268860-B2 Sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2012-09-18 US disclosed
WO-2007027734-A2 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX, INC. (US) 2007-03-08 WO disclosed
WO-2007027734-A2 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX, INC. (US) 2007-03-08 WO disclosed
EP-1720545-A1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES ChemoCentryx Inc (US) 2006-11-15 EP disclosed
US-20060074121-A1 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2006-04-06 US disclosed
US-20050234034-A1 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2005-10-20 US disclosed
WO-2005084667-A1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX, INC. (US) 2005-09-15 WO disclosed
US-6107321-A Diazabicyclooctane derivatives having selective 5-HT1Dalpha agonist activity MERCK SHARP & DOHME LTD. (GB) 2000-08-22 US disclosed
WO-1997011945-A1 DIAZABICYCLOOCTANE DERIVATIVES HAVING SELECTIVE 5-HT1DALPHA ANTAGONIST ACTIVITY MERCK SHARP & DOHME LIMITED (GB) 1997-04-03 WO disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO 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 (6 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-20120289572-A1 Nicotinic Acetylcholine Receptor Sub-Type Selective Amides of Diazabicycloalkanes CHRNA2, CHRNE, CHRNA7 ALDH1A1 2128/4885KMT2A 1653/4885MEN1 4492/4885
US-20050234034-A1 Bicyclic and bridged nitrogen heterocycles CCR3, CCR1, CCR2 ALDH1A1 2363/4885KMT2A 4608/4885MEN1 3847/4885
US-20060074121-A1 Bicyclic and bridged nitrogen heterocycles CCR3, CCR1, CCR2 ALDH1A1 2363/4885KMT2A 4608/4885MEN1 3847/4885
US-20130005789-A1 Nicotinic Acetylcholine Receptor Sub-Type Selective Amides of Diazabicycloalkanes CHRNA2, CHRNE, CHRNA7 ALDH1A1 2128/4885KMT2A 1653/4885MEN1 4492/4885
US-20150080576-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA4, CHRNA2, CHRNE ALDH1A1 1883/4885KMT2A 1813/4885MEN1 4644/4885
US-20160039833-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA2, CHRNE, CHRNA7 ALDH1A1 2128/4885KMT2A 1653/4885MEN1 4492/4885

“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.