SCHEMBL6037579

SCHEMBL6037579

[CH2]CCCN(C(N)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.50
HTT P42858 2/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PAX8 Q06710 2/20 0.43
GLA P06280 2/20 0.43
JAK2 O60674 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADRB2 P07550 1/20 0.35

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
SCHEMBL7220192 0.95 ADRA2C (0.49) ADRA2CHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5682214 0.89 HTT (0.49) ADRA2CHTTMEN1KMT2ASMN1; SMN2
SCHEMBL7139664 0.84 ADRA2C (0.51) ADRA2CHTTMEN1KMT2ASMN1; SMN2
SCHEMBL1506356 0.82 NPC1 (0.58) ADRA2CMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL27532883 0.82 ALDH1A1 (0.47) ADRA2CHTTMEN1KMT2ASMN1; SMN2
SCHEMBL1416009 0.81 ALDH1A1 (0.48) ADRA2CHTTMEN1KMT2ASMN1; SMN2
SCHEMBL4914220 0.81 ADRA2C (0.71) ADRA2CHTTMEN1KMT2AALDH1A1
SCHEMBL30205032 0.81 ADRA2C (0.49) ADRA2CHTTMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL27532672 0.81 NPC1 (0.56) ADRA2CMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL3055011 0.81 NPC1 (0.65) ADRA2CMEN1KMT2ASMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1192015-C Cell adhesion inhibitors BIOGEN INC (US) 2005-03-09 CN claimed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP claimed
CN-1177343-A Cell adhesion inhibitors BIOGEN INC (US) 1998-03-25 CN claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
CN-1192015-C Cell adhesion inhibitors BIOGEN INC (US) 2005-03-09 CN disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
CN-1177343-A Cell adhesion inhibitors BIOGEN INC (US) 1998-03-25 CN disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 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 (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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ADRA2C 2790/4885HTT 3064/4885MEN1 1437/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ADRA2C 2790/4885HTT 3064/4885MEN1 1437/4885

“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.