SCHEMBL600981

SCHEMBL600981

O=C(c1ccc2[nH]c3ccccc3c2c1)N1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
NPC1 O15118 2/20 0.65
GFER P55789 1/20 0.65
AURKA O14965 1/20 0.63
PARP1 P09874 1/20 0.54
CNR2 P34972 6/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 1/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA1D P25100 1/20 0.51

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
SCHEMBL17444609 0.79 PARP1 (0.64) RAB9ASMN1; SMN2PARP1ALDH1A1GAA
SCHEMBL21313838 0.79 TLR9 (0.49) RAB9ASMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL10905311 0.78 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2NPC1GFERAURKA
SCHEMBL21323177 0.78 TLR9 (0.61) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL17450338 0.76 KCNH2 (0.58) RAB9APARP1ALDH1A1HPGDMEN1
SCHEMBL29823892 0.75 KDM4E (0.60) RAB9ASMN1; SMN2PARP1ALDH1A1HPGD
SCHEMBL70283 0.75 KDM4E (0.60) RAB9ASMN1; SMN2PARP1ALDH1A1HPGD
SCHEMBL5467200 0.74 ALDH1A1 (0.64) RAB9ASMN1; SMN2NPC1GFERAURKA
SCHEMBL23079127 0.73 KDM4E (0.59) RAB9ASMN1; SMN2ALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL6434116 0.73 KDM4E (0.59) RAB9ASMN1; SMN2PARP1ALDH1A1HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors THE UNIV OF MONTANA (US) 2017-04-06 US disclosed
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors THE UNIV OF MONTANA (US) 2017-04-06 US disclosed
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors THE UNIV OF MONTANA (US) 2017-04-06 US disclosed
US-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 US disclosed
US-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 US disclosed
US-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 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 (2 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-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 RAB9A 2354/4885SMN1; SMN2 2828/4885NPC1 955/4885
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 RAB9A 2354/4885SMN1; SMN2 2828/4885NPC1 955/4885

“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.