Sugi Predict

Sugi Predict / Compounds / SCHEMBL101583

SCHEMBL101583

SCHEMBL101583

Cc1ccc(C(C)C)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.50
▸ CCR5 P51681 2/20 0.50
▸ CCR8 P51685 2/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ NOS3 P29474 2/20 0.46
▸ NOS2 P35228 2/20 0.46
▸ S1PR2 O95136 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ ADRA2A P08913 2/20 0.38
▸ ADRA2B P18089 2/20 0.38
▸ ADRA2C P18825 2/20 0.38
▸ PLAU P00749 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ APLNR P35414 1/20 0.37
▸ METAP2 P50579 1/20 0.36
▸ NOS1 P29475 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2A6 P11509 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
SCHEMBL13728413 0.84 CCR1 (0.52) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL890116 0.82 NPC1 (0.39) CCR1CCR5CCR8HDAC6MAPT
SCHEMBL18405360 0.81 CCR1 (0.46) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL14480105 0.81 NOS3 (0.48) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL31482165 0.81 NOS3 (0.48) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL17108557 0.81 CCR1 (0.46) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL16647671 0.81 CCR1 (0.46) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL5666361 0.81 NOS3 (0.48) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL11697158 0.81 CCR1 (0.46) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL29857673 0.81 CCR1 (0.46) CCR1CCR5CCR8HDAC6NOS3

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 952 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4374051-A ISOPROPENYL- OR ACETYL SUBSTITUTED PYRIDINE DERIVATIVES; REGENERATION OF ESSENTIAL OILS; FLAVORS FIRMENICH SA (CH) 1983-02-15 — — US claimed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 — — US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 — — US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 — — US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 — — US disclosed
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-07-18 — — US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 — — US disclosed
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 — — US disclosed
US-20240226114-A1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2024-07-11 — — US disclosed
WO-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 — — WO disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-7186727-B2 Pyridyl-substituted spiro-hydantoin compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-06 — — US disclosed
US-7173137-B2 Epothilone analogs THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-06 — — US disclosed
US-7173137-B2 Epothilone analogs THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-06 — — US disclosed
US-7163951-B2 N-biarylmethyl aminocycloalkanecarboxamide derivatives MERCK & CO., INC. (US) 2007-01-16 — — US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 — — US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 — — US disclosed
EP-1392312-A1 TRIAZOLO 4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2004-03-03 — — EP disclosed
WO-2002055083-A1 TRIAZOLO[4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 — — WO disclosed
US-4374051-A ISOPROPENYL- OR ACETYL SUBSTITUTED PYRIDINE DERIVATIVES; REGENERATION OF ESSENTIAL OILS; FLAVORS FIRMENICH SA (CH) 1983-02-15 — — US 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 (7 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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CCR1 1198/4885CCR5 3062/4885CCR8 2199/4885
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors MERTK, DAPK1, AXL CCR1 2773/4885CCR5 3222/4885CCR8 3950/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CCR1 1455/4885CCR5 2544/4885CCR8 2641/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP CCR1 4500/4885CCR5 4540/4885CCR8 4387/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CCR1 1012/4885CCR5 1485/4885CCR8 1343/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 CCR1 3818/4885CCR5 4490/4885CCR8 4137/4885
US-20240226114-A1 INHIBITORS AND USES THEREOF KEAP1, NQO1, NFE2L2 CCR1 4122/4885CCR5 3587/4885CCR8 3817/4885

“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.