SCHEMBL2978624

SCHEMBL2978624

CN1CCCC(CO)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
HTT P42858 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL18067364 0.95 NCF1 (0.41) NCF1SMN1; SMN2SIGMAR1HRH3HTT
SCHEMBL102678 0.91
Iodide SCHEMBL6364272 0.88 NCF1 (0.54) NCF1HRH3GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL27006569 0.88 NCF1 (0.54) NCF1ALDH1A1HRH3GNAI3GNAO1
SCHEMBL1184718 0.84
SCHEMBL1183640 0.84
SCHEMBL220279 0.84
SCHEMBL14492479 0.83 NCF1 (0.45) NCF1SMN1; SMN2SIGMAR1HRH3GNAI3
Hydrochloric Acid SCHEMBL11086419 0.82 SMN1; SMN2 (0.43) SMN1; SMN2CYP3A4CYP2C19SIGMAR1HRH3
SCHEMBL15916249 0.82 NCF1 (0.48) NCF1HRH3GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6821965-B1 IMPORTANT IN DISEASE OR MEDICAL CONDITIONS SUCH AS INFLAMMATION AND IMMUNOREGULATION ASTERZENECA AB (SE) 2004-11-23 US claimed
EP-1102743-B1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2002-07-24 EP claimed
WO-2022250170-A9 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-01-05 WO disclosed
US-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7772432-B2 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA AB (SE) 2010-08-10 US disclosed
EP-1787992-B1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-29 EP disclosed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 US disclosed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 US disclosed
EP-1787992-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-05-23 EP disclosed
US-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA 2005-02-17 US disclosed
US-6821965-B1 IMPORTANT IN DISEASE OR MEDICAL CONDITIONS SUCH AS INFLAMMATION AND IMMUNOREGULATION ASTERZENECA AB (SE) 2004-11-23 US disclosed
EP-1102743-B1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2002-07-24 EP disclosed
EP-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 EP disclosed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 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 (3 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-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors IL6, IL6ST, IL2 NCF1 1803/4885SMN1; SMN2 4288/4885CYP3A4 360/4885
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group HRH2, HRH4, CRHR1 NCF1 517/4885SMN1; SMN2 3792/4885CYP3A4 1490/4885
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 NCF1 634/4885SMN1; SMN2 3792/4885CYP3A4 1450/4885

“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.