SCHEMBL3874426

SCHEMBL3874426

Fc1ncccc1-c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.49
DPP4 P27487 2/20 0.47
CYP2A6 P11509 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP19A1 P11511 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
KCNA5 P22460 2/20 0.40
NOTUM Q6P988 1/20 0.40
GRM5 P41594 1/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
DHODH Q02127 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HSD11B1 P28845 1/20 0.38
NAPRT Q6XQN6 1/20 0.38

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
SCHEMBL25268600 0.98 CYP11B2 (0.47) CYP11B2DPP4CYP2A6CYP11B1CYP19A1
SCHEMBL30485665 0.98 CYP11B2 (0.47) CYP11B2DPP4CYP2A6CYP11B1CYP19A1
SCHEMBL363908 0.80
SCHEMBL29751863 0.80
SCHEMBL15731251 0.79 PDE2A (0.48) DPP4CYP2A6CYP19A1NPC1RAB9A
SCHEMBL20821415 0.78 DPP4 (0.50) DPP4CYP2A6CYP19A1NPC1RAB9A
SCHEMBL2319394 0.78 CYP11B2 (0.46) CYP11B2DPP4CYP11B1SMN1; SMN2TP53
SCHEMBL29019818 0.77 CYP2A6 (0.46) CYP11B2DPP4CYP2A6CYP11B1NPC1
SCHEMBL13963599 0.75 DPP4 (0.51) DPP4CYP2A6CYP19A1NPC1RAB9A
SCHEMBL30912197 0.75 ALDH1A1 (0.41) CYP11B2NPC1RAB9ATP53HPGD

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
US-7488728-B2 Pyridinylmorpholine derivatives ELI LILLY AND COMPANY (US) 2009-02-10 US disclosed
US-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-05-10 US disclosed
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY A CORPORATION 2007-02-08 US disclosed
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition ELI LILY AND COMPANY (US) 2007-01-18 US disclosed
CN-1889940-A Treatment of personality changes due to hot flashes, impulse control disorders and systemic medical conditions LILLY CO ELI (US) 2007-01-03 CN disclosed
EP-1729754-A2 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION ELI LILLY AND COMPANY (US) 2006-12-13 EP disclosed
US-20060258654-A1 Pyridinylmorpholine derivatives ELI LILLY AND COMPANY 2006-11-16 US disclosed
US-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY (US) 2006-10-26 US disclosed
EP-1660185-A2 TREATMENT OF STUTTERING AND OTHER COMMUNICATION DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
EP-1660065-A2 TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
EP-1660064-A2 TREATMENT OF LEARNING DISABILITIES AND MOTOR SKILLS DISORDER WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
EP-1658287-A1 PYRIDINYLMORPHOLINE DERIVATIVES ELI LILLY AND COMPANY (US) 2006-05-24 EP disclosed
WO-2005060949-A2 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION ELI LILLY AND COMPANY (US) 2005-07-07 WO disclosed
WO-2005053663-A2 NOREPINEPHRINE REUPTAKE INHIBITORS USEFUL FOR TREATMENT OF COGNITIVE FAILURE ELI LILLY AND COMPANY (US) 2005-06-16 WO disclosed
WO-2005023802-A1 PYRIDINYLMORPHOLINE DERIVATIVES ELI LILLY AND COMPANY (US) 2005-03-17 WO disclosed
WO-2005020976-A2 TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed
WO-2005021095-A2 TREATMENT OF STUTTERING AND OTHER COMMUNICATION DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed
WO-2005020975-A2 TREATMENT OF LEARNING DISABILITIES AND MOTOR SKILLS DISORDER WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 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 (5 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-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 CYP11B2 823/4885DPP4 1425/4885CYP2A6 184/4885
US-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 CYP11B2 2864/4885DPP4 1289/4885CYP2A6 1710/4885
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 CYP11B2 2124/4885DPP4 2414/4885CYP2A6 1831/4885
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A CYP11B2 1024/4885DPP4 2063/4885CYP2A6 498/4885
US-20060258654-A1 Pyridinylmorpholine derivatives OPRM1, OPRK1, CHRM1 CYP11B2 314/4885DPP4 780/4885CYP2A6 431/4885

“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.