SCHEMBL3705474

SCHEMBL3705474

CC(C)CCNC(=O)c1ccc(N)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
NPC1 O15118 2/20 0.67
LMNA P02545 3/20 0.64
SLC22A2 O15244 1/20 0.58
SLC22A1 O15245 1/20 0.58
ALDH1A1 P00352 1/20 0.58
TSHR P16473 1/20 0.58
ACHE P22303 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 1/20 0.58
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
HIF1A Q16665 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
ESRRG P62508 1/20 0.54
HDAC3 O15379 2/20 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
SCHEMBL17887994 0.91 SMN1; SMN2 (0.77) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL11282161 0.87 NPC1 (0.53) RAB9ASMN1; SMN2NPC1LMNASLC22A2
SCHEMBL27634018 0.85 KDM4E (0.54) RAB9ASMN1; SMN2NPC1LMNASLC22A2
SCHEMBL24648929 0.84 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL6570929 0.84 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL17301589 0.84 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2NPC1LMNACYP2C19
SCHEMBL14297350 0.84 NPC1 (0.69) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL9344489 0.83 KDM4E (0.68) LMNASLC22A2SLC22A1ALDH1A1TSHR
SCHEMBL18193848 0.83 NPC1 (0.67) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL3071606 0.83 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2NPC1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-20170135994-A9 NAMPT INHIBITORS ABBVIE INC. (US) 2017-05-18 US disclosed
US-20160184282-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 US disclosed
US-20160184281-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
US-9193723-B2 NAMPT inhibitors ABBVIE INC. (US) 2015-11-24 US disclosed
US-9187472-B2 NAMPT inhibitors ABBVIE INC. (US) 2015-11-17 US disclosed
EP-2847192-A1 NAMPT INHIBITORS AbbVie Inc. (US) 2015-03-18 EP disclosed
WO-2013170112-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO disclosed
US-20130303511-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 US disclosed
US-20130303508-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
WO-2011133039-A2 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS SYNTARGA B.V. (NL) 2011-10-27 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 (8 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK RAB9A 1486/4885SMN1; SMN2 1778/4885NPC1 1017/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 RAB9A 931/4885SMN1; SMN2 917/4885NPC1 453/4885
US-20130303508-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT RAB9A 2177/4885SMN1; SMN2 334/4885NPC1 88/4885
US-20160184282-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT RAB9A 2177/4885SMN1; SMN2 334/4885NPC1 88/4885
US-20130303511-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT RAB9A 2177/4885SMN1; SMN2 334/4885NPC1 88/4885
US-20160184281-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT RAB9A 2177/4885SMN1; SMN2 334/4885NPC1 88/4885
US-20170135994-A9 NAMPT INHIBITORS NAMPT, NNMT, NAPRT RAB9A 2177/4885SMN1; SMN2 334/4885NPC1 88/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 RAB9A 931/4885SMN1; SMN2 917/4885NPC1 453/4885

“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.