SCHEMBL4726800

SCHEMBL4726800

CCCCCC(C)(C)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX12 P18054 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CNR2 P34972 4/20 0.39
CNR1 P21554 3/20 0.39
CHRM2 P08172 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL19176877 0.98 LMNA (0.42) SMN1; SMN2L3MBTL1LMNAHTTKDM4E
SCHEMBL19176721 0.98 LMNA (0.42) SMN1; SMN2L3MBTL1LMNAHTTKDM4E
SCHEMBL19573802 0.95 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1LMNAHTTKDM4E
SCHEMBL18427298 0.87 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1LMNAKDM4EALOX15
SCHEMBL19059408 0.86 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1LMNAHTTKDM4E
SCHEMBL18923249 0.84 LMNA (0.42) SMN1; SMN2L3MBTL1LMNAHTTKDM4E
SCHEMBL22024919 0.84 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1LMNAHTTKDM4E
SCHEMBL20980158 0.84 LMNA (0.42) SMN1; SMN2L3MBTL1LMNAHTTKDM4E
SCHEMBL18612675 0.84 LMNA (0.42) SMN1; SMN2L3MBTL1LMNAHTTKDM4E
SCHEMBL18468195 0.84 LMNA (0.42) SMN1; SMN2L3MBTL1LMNAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11498926-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2022-11-15 US disclosed
US-11071731-B2 Allosteric modulators of the mu opioid receptor Chiromics, LLC (US) 2021-07-27 US disclosed
US-20210188872-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORTION 2021-06-24 US disclosed
US-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor Chiromics, LLC (US) 2020-09-03 US disclosed
US-9938294-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2018-04-10 US disclosed
US-20170320895-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-11-09 US disclosed
US-20170210754-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE HOLDINGS CORPORATION (US) 2017-07-27 US disclosed
WO-2008024953-A2 TRANSITION METAL-CATALYZED ALKYLATION OF C-H BONDS WITH ORGANOBORON REAGENTS BRANDEIS UNIVERSITY (US) 2008-02-28 WO disclosed
WO-2008024953-A2 TRANSITION METAL-CATALYZED ALKYLATION OF C-H BONDS WITH ORGANOBORON REAGENTS BRANDEIS UNIVERSITY (US) 2008-02-28 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-20210188872-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 SMN1; SMN2 4578/4885L3MBTL1 1182/4885LMNA 3201/4885
US-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor OPRM1, OPRK1, OPRD1 SMN1; SMN2 1176/4885L3MBTL1 761/4885LMNA 4854/4885
US-20170320895-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 905/4885L3MBTL1 2047/4885LMNA 491/4885
US-20170210754-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 SMN1; SMN2 4604/4885L3MBTL1 697/4885LMNA 3296/4885
US-11498926-B2 Tricyclic heterocycles as BET protein inhibitors BRD1, BRD3, BRD2 SMN1; SMN2 4578/4885L3MBTL1 1182/4885LMNA 3201/4885
US-11071731-B2 Allosteric modulators of the mu opioid receptor OPRM1, OPRK1, OPRD1 SMN1; SMN2 1176/4885L3MBTL1 761/4885LMNA 4854/4885

“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.